SCHEMBL8114657

SCHEMBL8114657

Cc1cc2c(cc1CNc1ccc(C(=O)O)cc1)C(C)(C)CCN2C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.55
RARB P10826 7/20 0.55
RARG P13631 6/20 0.55
RXRA P19793 11/20 0.48
CYP26A1 O43174 4/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 2/20 0.39
PGR P06401 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TBXA2R P21731 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLVRB P30043 1/20 0.39
RXRB P28702 6/20 0.39
RXRG P48443 5/20 0.39

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
SCHEMBL8116218 0.90 RARA (0.53) RARARARBRARGRXRACYP26A1
SCHEMBL7710034 0.89 RARA (0.61) RARARARBRARGMEN1KMT2A
SCHEMBL8107181 0.86 RARA (0.53) RARARARBRARGRXRACYP26A1
SCHEMBL8115557 0.85 RARA (0.62) RARARARBRARGMEN1KMT2A
SCHEMBL8116895 0.84 RARB (0.62) RARARARBRARGRXRACYP26A1
SCHEMBL8116219 0.81 RARB (0.56) RARARARBRARGRXRACYP26A1
SCHEMBL8107528 0.81 RARA (0.58) RARARARBRARGRXRACYP26A1
SCHEMBL8116844 0.78 RARB (0.60) RARARARBRARGRXRACYP26A1
SCHEMBL8116014 0.78 RARB (0.60) RARARARBRARGRXRACYP26A1
SCHEMBL7703936 0.78 RARB (0.69) RARARARBRARGRXRACYP26A1

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