SCHEMBL9033445

SCHEMBL9033445

CCCCC(c1ccc(C)cc1)n1ccc2cc(CC(C)=CC(=O)O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
ITGB5 P18084 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
SLC6A2 P23975 1/20 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
SCHEMBL9033912 0.92 ITGB3 (0.41) ITGB3ITGAVITGB5SLC6A2
SCHEMBL9034267 0.89 ITGB3 (0.41) ITGB3ITGAVITGB5SLC6A2
SCHEMBL9033809 0.86 SLC6A2 (0.46) ITGB3ITGAVITGB5SLC6A2
SCHEMBL9033182 0.86 ITGB3 (0.35) ITGB3ITGAVITGB5OXER1
SCHEMBL9034237 0.86 CACNA1H (0.36) SLC6A2
SCHEMBL9033330 0.86 ITGB3 (0.41) ITGB3ITGAVOXER1
SCHEMBL9465390 0.85 OXER1 (0.38) ITGB3ITGAVOXER1
SCHEMBL9033452 0.84
SCHEMBL9033432 0.84
SCHEMBL9034046 0.84 ITGB3 (0.40) ITGB3ITGAVOXER1

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