SCHEMBL9033912

SCHEMBL9033912

CCCCC(c1ccccc1)n1ccc2cc(CC(C)=CC(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGB5 P18084 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 2/20 0.41

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
SCHEMBL9034267 0.97 ITGB3 (0.41) ITGB3ITGAVITGB5SLC6A2SLC6A4
SCHEMBL9033809 0.94 SLC6A2 (0.46) ITGB3ITGAVITGB5SLC6A2SLC6A4
SCHEMBL9033445 0.92 ITGB3 (0.35) ITGB3ITGAVITGB5SLC6A2
SCHEMBL9034512 0.89 ITGB3 (0.41) ITGB3ITGAVITGB5SLC6A2SLC6A4
SCHEMBL9033182 0.89 ITGB3 (0.35) ITGB3ITGAVITGB5
SCHEMBL9033330 0.87 ITGB3 (0.41) ITGB3ITGAV
SCHEMBL9465390 0.86 OXER1 (0.38) ITGB3ITGAV
SCHEMBL9034046 0.85 ITGB3 (0.40) ITGB3ITGAV
SCHEMBL9031740 0.85 ITGB3 (0.43) ITGB3ITGAV
SCHEMBL9031283 0.85 ITGB3 (0.39) ITGB3ITGAVITGB5

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