SCHEMBL8107528

SCHEMBL8107528

Cc1cc2c(cc1Nc1ccc(C(=O)O)cc1)N(C(C)C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.58
RARB P10826 8/20 0.58
RARG P13631 7/20 0.58
CYP26A1 O43174 4/20 0.45
RXRA P19793 12/20 0.45
RXRB P28702 5/20 0.44
RXRG P48443 5/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PGR P06401 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TBXA2R P21731 2/20 0.42
ABCB11 O95342 1/20 0.42
ESR1 P03372 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL8105372 0.87 RARA (0.63) RARARARBRARGMEN1KMT2A
SCHEMBL7703936 0.84 RARB (0.69) RARARARBRARGCYP26A1RXRA
SCHEMBL8116219 0.81 RARB (0.56) RARARARBRARGCYP26A1RXRA
SCHEMBL8107181 0.81 RARA (0.53) RARARARBRARGCYP26A1RXRA
SCHEMBL8114657 0.81 RARA (0.55) RARARARBRARGCYP26A1RXRA
SCHEMBL22836804 0.80 RXRA (0.62) RARARARBRARGCYP26A1RXRA
SCHEMBL8116218 0.79 RARA (0.53) RARARARBRARGCYP26A1RXRA
SCHEMBL8122280 0.78 RXRA (0.67) RARARARBRARGCYP26A1RXRA
SCHEMBL8116015 0.77 RARB (0.64) RARARARBRARGCYP26A1RXRA
SCHEMBL8116845 0.77 RARB (0.64) RARARARBRARGCYP26A1RXRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127382-A AN ANTIPROLIFERATIVE AGENT FOR TREATING SKIN-RELATED DISEASES, AN ANTITUMOR AGENT TREATING CANCER, AN ANTIINFLAMMATORY AGENT TREATING PULMONARY FIBROSIS, ILEITIS, COLITIS AND KROHN'S DISEASE ALLERGAN SALES, INC. (US) 2000-10-03 US disclosed