SCHEMBL9838448

SCHEMBL9838448

[CH2]CC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
MAPT P10636 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PTPN1 P18031 1/20 0.64
GSK3B P49841 1/20 0.64
RAB9A P51151 4/20 0.62
FFAR1 O14842 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
HIF1A Q16665 1/20 0.62
HPGD P15428 1/20 0.60
ERCC5 P28715 1/20 0.60
FEN1 P39748 1/20 0.60
HAO1 Q9UJM8 1/20 0.60
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
USP2 O75604 1/20 0.58
AGTR1 P30556 1/20 0.55
SRD5A2 P31213 1/20 0.53
NPC1 O15118 2/20 0.50

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
SCHEMBL301139 0.86 MAPK1 (0.64) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL10437685 0.83 SMN1; SMN2 (0.69) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL27182280 0.82 ERCC5 (0.77) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL11453430 0.80 SMN1; SMN2 (0.67) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL4833392 0.80 SMN1; SMN2 (0.67) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL8534233 0.80 SMN1; SMN2 (0.84) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL10789985 0.80 SMN1; SMN2 (0.77) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL13267783 0.78 MAPT (1.00) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL1928026 0.78 MAPT (1.00) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL22004470 0.78 GSK3B (1.00) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028603-A Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-07-02 US disclosed
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 EP disclosed
US-4618617-A ANTIINFLAMMATORY, ANALGESIC AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-10-21 US disclosed