SCHEMBL8329307

SCHEMBL8329307

CC1(C)CCC(C)(C)c2cc(-c3ccc(C(=O)O)c(C(N)=S)c3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARG P13631 15/20 0.54
RARB P10826 13/20 0.54
RARA P10276 12/20 0.54
RXRA P19793 5/20 0.50
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45

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
SCHEMBL10356134 0.77 RARG (0.64) RARGRARBRARARXRARXRB
SCHEMBL9856398 0.76 RARB (0.62) RARGRARBRARARXRARXRB
SCHEMBL5846340 0.75 RARB (0.77) RARGRARBRARARXRARXRB
SCHEMBL9551739 0.74 RARB (0.69) RARGRARBRARARXRARXRB
SCHEMBL8679596 0.74 RARB (0.52) RARGRARBRARARXRARXRB
SCHEMBL9856250 0.73 RARB (0.53) RARGRARBRARARXRARXRB
SCHEMBL9856315 0.72 RARG (0.50) RARGRARBRARARXRARXRB
SCHEMBL10549628 0.71 RARG (0.57) RARGRARBRARARXRARXRB
SCHEMBL2331952 0.70 RARB (1.00) RARGRARBRARARXRARXRB
SCHEMBL14437917 0.70 RARB (1.00) RARGRARBRARARXRARXRB

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
US-5856490-A Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thiochroman and 1,2,3,4-tetrahydroquinoline carboxylic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity ALLERGAN (US) 1999-01-05 US claimed
US-5856490-A Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thiochroman and 1,2,3,4-tetrahydroquinoline carboxylic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity ALLERGAN (US) 1999-01-05 US disclosed