SCHEMBL7301241

SCHEMBL7301241

CCON=Cc1ccc(N(C)C(=O)c2ccc3c(c2)C(CC)C(CC(=O)O)CC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP26B1 Q9NR63 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
DRD2 P14416 1/20 0.32
MAPT P10636 4/20 0.32
POLB P06746 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7306389 0.95 MEN1 (0.35) MEN1KMT2ACYP26B1KDM4EALDH1A1
SCHEMBL7307578 0.88 ALDH1A1 (0.37) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL7308662 0.85 ITGB3 (0.39) SMN1; SMN2ITGB3ITGA2BMAPTPOLB
SCHEMBL7392909 0.84 MAPT (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7298316 0.83 ITGB3 (0.43) ITGB3ITGA2BMAPT
SCHEMBL7392482 0.83 DRD2 (0.35) MEN1KMT2ACYP26B1KDM4EALDH1A1
SCHEMBL7302144 0.82 ITGB3 (0.49) CYP26B1ITGB3ITGA2BDRD2
SCHEMBL7394074 0.79 MAPT (0.43) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7304078 0.79 PPARD (0.39) KMT2AKDM4EALDH1A1SMN1; SMN2ITGB3
SCHEMBL7300008 0.79 ITGB3 (0.41) KMT2AKDM4EITGB3ITGA2BLMNA

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
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed