SCHEMBL8323697

SCHEMBL8323697

CCC(C(=O)O)=C(C)C=CCN1CCCc2c1ccc1c2C(C)(C)CCC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.32
RXRG P48443 9/20 0.32
RXRB P28702 6/20 0.32
RARB P10826 4/20 0.32
RARG P13631 3/20 0.32
RARA P10276 2/20 0.32
TP53 P04637 2/20 0.30
INMT O95050 1/20 0.30
CYP1A2 P05177 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
SMAD3 P84022 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8309443 0.85 RXRA (0.47) RXRARXRGRXRBRARBRARG
SCHEMBL8309439 0.85 RXRA (0.47) RXRARXRGRXRBRARBRARG
SCHEMBL8323695 0.82 RXRA (0.35) RXRARXRGRXRBRARBRARG
SCHEMBL8323032 0.81 RXRA (0.36) RXRARXRGRXRBRARBRARG
SCHEMBL8524314 0.74 RXRA (0.32) RXRARXRGRXRBRARBRARG
SCHEMBL8320884 0.72 RXRA (0.32) RXRARXRGRXRBRARBRARG
SCHEMBL8015602 0.65 RXRA (0.69) RXRARXRGRXRBRARBRARG
SCHEMBL6037058 0.65 RXRA (0.52) RXRARXRGRXRBRARBRARG
SCHEMBL8313529 0.63 RXRA (0.33) RXRA
SCHEMBL8417708 0.63 RXRA (0.52) RXRARXRGRXRBRARBRARG

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
EP-0800504-B1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARM INC (US) 1999-12-01 EP disclosed