SCHEMBL8461561

SCHEMBL8461561

CCCCCCc1cc2c(cc1C(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.62
RXRB P28702 3/20 0.46
RXRG P48443 3/20 0.46
RARA P10276 2/20 0.46
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
HNF4A P41235 2/20 0.46
KAT8 Q9H7Z6 2/20 0.43
PPARA Q07869 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43

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
SCHEMBL6679884 0.99 RXRA (0.64) RXRARXRBRXRGRARARARB
SCHEMBL6674721 0.84 RXRA (0.50) RXRARXRBRXRGRARARARB
SCHEMBL6910130 0.82 RXRA (0.62) RXRARXRBRXRGRARARARB
SCHEMBL20178976 0.82 RXRA (0.65) RXRARXRBRXRGRARARARB
SCHEMBL9850259 0.82 RXRA (0.50) RXRARXRBRXRGRARARARB
SCHEMBL11800974 0.81 KAT8 (0.56) RARARARBRARGKAT8PPARA
SCHEMBL10843182 0.81 RXRA (0.78) RXRARXRBRXRGRARARARB
SCHEMBL10841409 0.81 RXRA (0.78) RXRARXRBRXRGRARARARB
SCHEMBL10842475 0.81 RXRA (0.78) RXRARXRBRXRGRARARARB
SCHEMBL10843360 0.81 RXRA (0.78) RXRARXRBRXRGRARARARB

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-5958956-A SKIN DISORDERS; WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5726191-A TREATEMENT OF LIGHT AND AGE DAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed