SCHEMBL8565216

SCHEMBL8565216

CC1(C)CCC(=O)c2cc(-c3c(C(=O)O)ccc4ccccc34)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.47
KDM4E B2RXH2 2/20 0.42
SOS1 Q07889 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
RARB P10826 8/20 0.40
RARG P13631 7/20 0.40
RXRA P19793 3/20 0.40
RARA P10276 8/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
RORC P51449 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
LDHA P00338 1/20 0.37

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
SCHEMBL8661522 0.85 NSD2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19RARB
SCHEMBL9857155 0.84 RARB (0.54) WDR5KDM4ERARBRARGRXRA
SCHEMBL6423981 0.75 RARB (0.68) RARBRARGRXRARARA
SCHEMBL27746158 0.74 WDR5 (0.52) WDR5KDM4ESOS1CYP1A2CYP2D6
SCHEMBL30874069 0.73 WDR5 (0.71) WDR5KDM4ESOS1CYP1A2CYP2D6
SCHEMBL8583240 0.72 RARB (0.61) WDR5KDM4ERARBRARGRARA
SCHEMBL8632470 0.72 HIF1A (0.46) KDM4ESOS1CYP1A2CYP2D6CYP2C9
SCHEMBL8665702 0.72 RARG (0.42) RARBRARGRXRARARA
SCHEMBL8772694 0.72 RARG (0.42) TSHRRARBRARGRXRARARA
SCHEMBL6292577 0.70 RARB (0.51) KDM4ECYP1A2CYP2D6CYP2C19RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808124-A BINDING TO RETINOID RECEPTORS ALLERGAN (US) 1998-09-15 US disclosed
US-5773594-A TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF OTHER RETINOIDS ALLERGAN (US) 1998-06-30 US disclosed
US-5763635-A Tetrahydronaphthalene derivatives substituted in the 8 position with alkyhidene groups having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-06-09 US disclosed
US-5747542-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1998-05-05 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed