SCHEMBL6805979

SCHEMBL6805979

CC(C)(C)OC(=O)CC(NC(=O)OCc1ccccc1)n1cnc2c(N3CCC(C(=O)O)CC3)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ITGB3 P05106 6/20 0.38
ITGAV P06756 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PREP P48147 2/20 0.37
SYK P43405 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 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
SCHEMBL6810547 0.91 ITGB3 (0.40) CNR1CNR2ITGB3ITGAVPREP
SCHEMBL6811105 0.90 CNR1 (0.44) CNR1CNR2ITGB3ITGAVSMN1; SMN2
SCHEMBL6810562 0.87 ITGB3 (0.41) CNR1CNR2ITGB3ITGAVMAPT
SCHEMBL6810273 0.84 TDP1 (0.36) CNR1CNR2ALDH1A1TDP1MAPT
SCHEMBL6805849 0.83 SYK (0.42) SYKMAPTKLK7KLK5
SCHEMBL4640164 0.83 ITGB3 (0.46) CNR1CNR2ITGB3ITGAV
SCHEMBL27524220 0.83 ITGB3 (0.46) CNR1CNR2ITGB3ITGAV
SCHEMBL27524223 0.81 SMN1; SMN2 (0.40) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL6805722 0.81 BTK (0.41) SYKALDH1A1GAAMAPTKMT2A
SCHEMBL6804912 0.80 ITGB3 (0.45) CNR1CNR2ITGB3ITGAVPREP

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
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed