SCHEMBL8733110

SCHEMBL8733110

CC1(C)CCCc2ccc(C(=O)c3ccc4c(c3)C(C)(C)CCC4)cc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.55
RXRB P28702 8/20 0.55
RXRG P48443 6/20 0.55
RARB P10826 6/20 0.55
RARG P13631 5/20 0.55
RARA P10276 4/20 0.51
CYP26A1 O43174 2/20 0.51
CYP26B1 Q9NR63 1/20 0.51
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8731089 0.88 RXRA (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL9551744 0.88 RXRA (0.63) RXRARXRBRXRGRARBRARG
SCHEMBL4417565 0.88 RXRA (0.52) RXRARXRBRXRGRARBRARG
SCHEMBL7940005 0.87 RXRA (0.51) RXRARXRBRXRGRARBRARG
SCHEMBL1118855 0.87 KDM1A (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL8460386 0.83 RXRA (0.58) RXRARXRBRXRGRARBRARG
SCHEMBL12620617 0.83 GNG2 (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL8733241 0.78 RARB (0.83) RXRARXRBRXRGRARBRARG
SCHEMBL9551735 0.77 RXRA (0.55) RXRARXRBRXRGRARBRARG
SCHEMBL14377463 0.77 RARB (0.72) RXRARXRBRXRGRARBRARG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699178-B1 TETRAHYDRONAPHTHYL AND CYCLOPROPYL SUBSTITUTED 1,3-BUTADIENES HAVING RETINOID-LIKE ACTIVITY ALLERGAN INC (US) 1998-06-24 EP disclosed
US-5602135-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ARTHEROSCLEROSIS,IMMUNOLOGY, WOUND HEALING AGENT, VISION DEFECTS, SUNSCREEN AGENTS ALLERGAN 1997-02-11 US disclosed
EP-0724579-A1 PHENYL OR HETEROARYL AND TETRAHYDRONAPHTHYL SUBSTITUTED DIENE COMPOUNDS HAVING RETINOID LIKE BIOLOGICAL ACTIVITY Allergan (US) 1996-08-07 EP disclosed
EP-0699178-A1 TETRAHYDRONAPHTHYL AND CYCLOPROPYL SUBSTITUTED 1,3-BUTADIENES HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1996-03-06 EP disclosed
US-5475022-A Treating acne ALLERGAN, INC. (US) 1995-12-12 US disclosed
WO-1995011242-A1 PHENYL OR HETEROARYL AND TETRAHYDRONAPHTHYL SUBSTITUTED DIENE COMPOUNDS HAVING RETINOID LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1995-04-27 WO disclosed
WO-1994026687-A1 TETRAHYDRONAPHTHYL AND CYCLOPROPYL SUBSTITUTED 1,3-BUTADIENES HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1994-11-24 WO disclosed
US-5344959-A Skin disorders and anticancer agents ALLERGAN, INC. (US) 1994-09-06 US disclosed