SCHEMBL7344933

SCHEMBL7344933

CCOC(=O)CC1CC(C)(C)c2cc(NC(=O)c3ccc(C=NN)cc3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.38
MAPT P10636 8/20 0.38
NPC1 O15118 7/20 0.38
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
SMN1; SMN2 Q16637 7/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 2/20 0.36
MITF O75030 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
NTSR1 P30989 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP26A1 O43174 2/20 0.36

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 SCHEMBL6956893 0.99 RAB9A (0.37) RAB9AMAPTNPC1TSHRL3MBTL1
SCHEMBL6957291 0.90 ITGB3 (0.47) RAB9AMAPTNPC1ITGB3ITGA2B
SCHEMBL7344913 0.87 ITGB3 (0.51) RAB9AMAPTNPC1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL6956883 0.86 ITGB3 (0.50) RAB9AMAPTNPC1TSHRL3MBTL1
SCHEMBL6948847 0.84 RAB9A (0.41) RAB9AMAPTNPC1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL6955164 0.82 ITGB3 (0.56) RAB9AMAPTNPC1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL6950445 0.81 MAPT (0.36) RAB9AMAPTNPC1TSHRSMN1; SMN2
SCHEMBL6953246 0.78 RORC (0.46)
Hydrochloric Acid SCHEMBL6958564 0.77 ITGB3 (0.54) RAB9AMAPTNPC1L3MBTL1ITGB3
Hydrochloric Acid SCHEMBL6953707 0.75 ITGB3 (0.58) RAB9AMAPTNPC1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed