SCHEMBL7333012

SCHEMBL7333012

CC(C)N1c2ccc(C(=O)O)cc2CNC(=O)C1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.34
B3GNT2 Q9NY97 1/20 0.34
ITGAV P06756 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7078805 0.86 TSHR (0.43) TSHRALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL7366389 0.86 TSHR (0.43) TSHRALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL8468700 0.83 ALDH1A1 (0.43) TSHRALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL7079518 0.81 TSHR (0.36) TSHRALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL7919242 0.71 TSHR (0.43) TSHRALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL7401266 0.71 TSHR (0.43) TSHRALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL7444030 0.71 HPGD (0.43) TSHRALDH1A1KDM4ETDP1ITGB3
SCHEMBL23535782 0.71 LMNA (0.49) ALDH1A1KDM4EPOLBL3MBTL1TDP1
SCHEMBL30040376 0.71 LMNA (0.49) ALDH1A1KDM4EPOLBL3MBTL1TDP1
SCHEMBL6676454 0.70 ITGB3 (0.60) ALDH1A1KDM4ETDP1ITGB3ITGA2B

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-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed