SCHEMBL9033253

SCHEMBL9033253

CCCC(c1ccccc1C)n1ccc2cc(CC(C)=CC(=O)O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
ITGB3 P05106 2/20 0.34
ITGAV P06756 2/20 0.34
ITGB5 P18084 1/20 0.34
SMO Q99835 1/20 0.34
SLC6A4 P31645 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
SCHEMBL9033182 0.94 ITGB3 (0.35) ITGB3ITGAVITGB5
SCHEMBL9033809 0.89 SLC6A2 (0.46) SLC6A2ITGB3ITGAVITGB5SLC6A4
SCHEMBL9035231 0.86 SLC6A2 (0.36) SLC6A2ITGB3ITGAVITGB5SLC6A4
SCHEMBL9033260 0.84
SCHEMBL9033245 0.84
SCHEMBL9032684 0.84 ITGB3 (0.35) SLC6A2ITGB3ITGAVITGB5SLC6A4
SCHEMBL9033912 0.83 ITGB3 (0.41) SLC6A2ITGB3ITGAVITGB5SLC6A4
SCHEMBL9034512 0.83 ITGB3 (0.41) SLC6A2ITGB3ITGAVITGB5SLC6A4
SCHEMBL9033860 0.82 ITGB3 (0.44) ITGB3ITGAV
SCHEMBL9034267 0.82 ITGB3 (0.41) SLC6A2ITGB3ITGAVITGB5SLC6A4

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