SCHEMBL9035231

SCHEMBL9035231

CC(=CC(=O)O)Cc1ccc2c(ccn2C(C)c2ccccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGB5 P18084 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL9032684 0.88 ITGB3 (0.35) SLC6A2SLC6A4ITGB3ITGAVITGB5
SCHEMBL9031376 0.87 ITGB3 (0.40) SLC6A2SLC6A4ITGB3ITGAVITGB5
SCHEMBL9033253 0.86 SLC6A2 (0.38) SLC6A2SLC6A4ITGB3ITGAVITGB5
SCHEMBL9033951 0.85 SLC6A2 (0.33) SLC6A2SLC6A4
SCHEMBL9033182 0.84 ITGB3 (0.35) ITGB3ITGAVITGB5
SCHEMBL9034146 0.84 SLC6A2 (0.37) SLC6A2SLC6A4ITGB3ITGAVITGB5
SCHEMBL9466113 0.83 PDPK1 (0.41) ITGB3ITGAVITGB5
SCHEMBL9035225 0.82
SCHEMBL9035236 0.82
SCHEMBL9031283 0.81 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 2 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
EP-0511477-A1 Indole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-11-04 EP disclosed