SCHEMBL10936688

SCHEMBL10936688

C/C(=C\c1ccc(C(=O)O)cc1F)c1cc2c(cc1C)C1CCC2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.50
RARB P10826 5/20 0.50
RXRA P19793 6/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
RARA P10276 2/20 0.39
SRD5A2 P31213 3/20 0.39
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CREBBP Q92793 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC6A3 Q01959 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL10936689 1.00 RARG (0.50) RARGRARBRXRARXRBRXRG
SCHEMBL10936009 0.87 RARG (0.51) RARGRARBRXRARXRBRXRG
SCHEMBL10936000 0.87 RARG (0.51) RARGRARBRXRARXRBRXRG
SCHEMBL10934189 0.86 RARG (0.68) RARGRARBRXRARARASRD5A2
SCHEMBL10934181 0.86 RARG (0.68) RARGRARBRXRARARASRD5A2
SCHEMBL10934173 0.86 RARG (0.68) RARGRARBRXRARARASRD5A2
SCHEMBL10934971 0.84 RARG (0.48) RARGRARBRXRARXRBRXRG
SCHEMBL10934968 0.84 RARG (0.48) RARGRARBRXRARXRBRXRG
SCHEMBL10936685 0.82 RARG (0.73) RARGRARBRXRARXRBRXRG
SCHEMBL10936673 0.82 RARG (0.73) RARGRARBRXRARXRBRXRG

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
EP-0155940-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-10-02 EP disclosed
WO-1985000806-A1 BENZONORBORNENYL, BENZOPYRANYL AND BENZOTHIOPYRANYL RETINOIC ACID ANALOGUES SRI INTERNATIONAL (US) 1985-02-28 WO disclosed