SCHEMBL30954

SCHEMBL30954

C=CCOC(=O)CNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 2/20 0.50
CYP3A4 P08684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RHOA P61586 1/20 0.41
TGM2 P21980 1/20 0.41
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
CASP1 P29466 2/20 0.39
FFAR1 O14842 1/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11303697 0.98 SMN1; SMN2 (0.49) SMN1; SMN2PKMCYP3A4NPSR1ALDH1A1
SCHEMBL4394590 0.85 SMN1; SMN2 (0.42) SMN1; SMN2PKMCYP3A4NPSR1ALDH1A1
SCHEMBL10535785 0.83 TGM2 (0.43) SMN1; SMN2PKMCYP3A4NPSR1ALDH1A1
SCHEMBL18740426 0.82 PKM (0.47) SMN1; SMN2PKMCYP3A4NPSR1ALDH1A1
SCHEMBL8597983 0.81 TGM2 (0.49) SMN1; SMN2PKMALDH1A1TGM2RAB9A
SCHEMBL16166446 0.80 GRK2 (0.43) SMN1; SMN2PKMCYP3A4NPSR1ALDH1A1
SCHEMBL9298771 0.80 MAOB (0.49) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL9298769 0.80 MAOB (0.49) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL16166407 0.79 PRSS1 (0.46)
SCHEMBL11726671 0.79 ALDH1A1 (0.44) SMN1; SMN2PKMALDH1A1TSHRRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1558 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020051701-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PATHOGENIC NEISSERIA INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2020-03-19 WO claimed
US-5604256-A (7-(5-(1,3-DIOXANE-5YL)METHOXYIMINO-2-METHYL-8-(2-METHYLBUTYR -OXY)3-OXO-1,2,3,5,6,7,8,8A-OCTAHYDRO-1-NAPHTHYL)-3-HYDROXY-5 -OXOHEPTANOIC ACID AND SALTS SANKYO COMPANY, LIMITED (JP) 1997-02-18 US claimed
US-4866093-A INHIBITING CHOLESTEROL BIOSYNTHESIS IN THE LIVER SANKYO COMPANY LIMITED (JP) 1989-09-12 US claimed
US-4820865-A INHIBITORS OF BIOSYNTHESIS OF CHOLESTEROL SANKYO COMPANY, LIMITED (JP) 1989-04-11 US claimed
US-4695587-A CHOLESTEROL BIOSYNTHESIS INHIBITORS SANKYO COMPANY LIMITED (JP) 1987-09-22 US claimed
EP-0076601-B1 OCTAHYDRONAPHTHALENE DERIVATIVES AND THEIR PREPARATION SANKYO COMPANY LIMITED (JP) 1986-04-09 EP claimed
EP-0065835-B1 M-4 AND ISO M-4 DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-11-13 EP claimed
EP-0065843-B1 NEW M-4 AND ISO M-4 DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-09-18 EP claimed
EP-0074222-B1 MB-530B DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-04-10 EP claimed
EP-0076601-A1 Octahydronaphthalene derivatives and their preparation SANKYO COMPANY LIMITED (JP) 1983-04-13 EP claimed
EP-0074222-A1 MB-530B derivatives, their preparation and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1983-03-16 EP claimed
EP-0070649-A2 ML-236B Derivatives, a process for their preparation and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1983-01-26 EP claimed
EP-0065835-A1 M-4 and iso M-4 derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1982-12-01 EP claimed
EP-0065843-A1 New M-4 and iso M-4 derivatives, their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1982-12-01 EP claimed
US-4337352-A SALT FORMATION WITH OPTICALLY ACTIVE AMINE BAYER AKTIENGESELLSCHAFT (DE) 1982-06-29 US claimed
EP-4398924-A1 TRANSMEMBRANE PEPTIDIC ANTAGONISTS OF PLEXIN-A1 AND THEIR THERAPEUTIC USES Université de Strasbourg (FR) 2024-07-17 EP disclosed
EP-4400168-A2 ANTISENSE NUCLEIC ACIDS Nippon Shinyaku Co., Ltd. (JP) 2024-07-17 EP disclosed
US-4093653-A RESOLUTION STAMICARBON, B.V. (NL) 1978-06-06 US disclosed
US-4036852-A Optical resolution of phenyl-glycine amide STAMICARBON B.V. (NL) 1977-07-19 US disclosed
US-3971700-A Process for the enzymatic resolution of DL-phenyl glycine amide into its optically active antipodes STAMICARBON B.V. (NL) 1976-07-27 US disclosed