SCHEMBL7318008

SCHEMBL7318008

CCOC(=O)/C(=C/c1ccccc1C(F)(F)F)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 7/20 0.53
LMNA P02545 4/20 0.53
PLIN1 O60240 1/20 0.53
POLB P06746 1/20 0.53
PLIN5 Q00G26 1/20 0.53
ABHD5 Q8WTS1 1/20 0.53
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
GLO1 Q04760 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 2/20 0.43
NFKB1 P19838 1/20 0.43
MAOB P27338 2/20 0.42

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
SCHEMBL7282102 1.00 MEN1 (0.53) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10785285 1.00 MEN1 (0.53) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL11782981 0.93 LMNA (0.61) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL11775134 0.89 LMNA (0.53) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10377252 0.86 MEN1 (0.48) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10377251 0.86 MEN1 (0.48) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10741688 0.86 LMNA (0.50) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL10741684 0.86 LMNA (0.50) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL9173889 0.86 NFKB1 (0.40) MEN1KMT2AMAPTLMNAPLIN1
SCHEMBL9173882 0.86 NFKB1 (0.40) MEN1KMT2AMAPTLMNAPLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183848-B1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-09-12 EP disclosed
US-4918074-A CALCIUM ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
EP-0217142-A2 A polyazaheterocyclic compound Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-04-08 EP disclosed
US-4622332-A Asymmetric diesters of Hantzsch dihydropyridines with hypotensive activity BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
EP-0183848-A1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-11 EP disclosed
US-4500528-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORPORATION (US) 1985-02-19 US disclosed
EP-0109049-A2 Process for preparation of substituted dihydropyridines and intermediates therefor USV PHARMACEUTICAL CORPORATION (US) 1984-05-23 EP disclosed
US-4136187-A CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4053614-A 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-3971791-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3971790-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3959292-A HYPOTENSIVE AGENTS, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed