SCHEMBL8733241

SCHEMBL8733241

CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc21

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.83
RARG P13631 12/20 0.83
RXRA P19793 12/20 0.83
RXRB P28702 8/20 0.83
RXRG P48443 6/20 0.83
RARA P10276 10/20 0.76
CYP26A1 O43174 5/20 0.76
CYP26B1 Q9NR63 1/20 0.76
CYP3A4 P08684 3/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
CRABP2 P29373 1/20 0.57
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL10355871 0.91 RXRA (1.00) RARBRARGRXRARXRBRXRG
SCHEMBL24259973 0.91 RXRA (0.77) RARBRARGRXRARXRBRXRG
SCHEMBL2194599 0.91 RARB (0.82) RARBRARGRXRARXRBRXRG
SCHEMBL16523407 0.90 RARB (0.74) RARBRARGRXRARXRBRXRG
SCHEMBL7761329 0.87 RARB (0.80) RARBRARGRXRARXRBRXRG
SCHEMBL7422927 0.87 RXRA (0.70) RARBRARGRXRARXRBRXRG
SCHEMBL10356129 0.87 CYP26A1 (0.71) RARBRARGRXRARXRBRXRG
SCHEMBL2391376 0.87 RARB (1.00) RARBRARGRXRARXRBRXRG
SCHEMBL2195224 0.86 RXRA (0.66) RARBRARGRXRARXRBRXRG
SCHEMBL846110 0.86 RARB (0.81) RARBRARGRXRARXRBRXRG

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-5696162-A ANTIINFLAMMATORY AGENTS, SKIN DISORDERS, AUTOIMMUNE DISORDERS ALLERGAN (US) 1997-12-09 US disclosed
US-5677320-A SKIN DISORDERS, ANTIGROWTH AGENT, IMMUNOLOGY DISORDERS ALLERGAN (US) 1997-10-14 US disclosed
US-5602135-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ARTHEROSCLEROSIS,IMMUNOLOGY, WOUND HEALING AGENT, VISION DEFECTS, SUNSCREEN AGENTS ALLERGAN 1997-02-11 US 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