SCHEMBL9034650

SCHEMBL9034650

CC(=CC(=O)O)Cc1ccc2c(ccn2C(CC(C)C)CC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
NTSR1 P30989 4/20 0.34

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
SCHEMBL9033860 0.86 ITGB3 (0.44) ITGB3ITGAV
SCHEMBL9465516 0.86 KDM4E (0.33) ITGB3ITGAV
SCHEMBL9033463 0.85 KDM4E (0.34) ITGB3ITGAV
SCHEMBL9033646 0.84 ITGB3 (0.43) ITGB3ITGAV
SCHEMBL9033330 0.84 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL9032728 0.83 GRIN2D (0.36) ITGB3ITGAV
SCHEMBL9032343 0.83 ITGB3 (0.40) ITGB3ITGAV
SCHEMBL9032615 0.83 BRD4 (0.38) ITGB3ITGAV
SCHEMBL9031376 0.83 ITGB3 (0.40) ITGB3ITGAV
SCHEMBL9034046 0.82 ITGB3 (0.40) ITGB3ITGAV

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-0511477-B1 Indole derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-10 EP disclosed
US-5239083-A Anticarcinogenic agents, prostate cancer treatment KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-24 US disclosed
EP-0511477-A1 Indole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-11-04 EP disclosed