SCHEMBL8560366

SCHEMBL8560366

COCC1CCC(C)(C)c2ccc(C(=O)Oc3ccccc3C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HSPA1A P0DMV8 2/20 0.38
PTPN7 P35236 2/20 0.38
GAPDH P04406 1/20 0.38
HPGD P15428 3/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ESR1 P03372 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
TSHR P16473 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL8559347 0.86 KDM4E (0.43) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL6297298 0.84 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL8560364 0.83 CYP3A4 (0.38) KDM4CLMNATSHRTDP1RXRA
SCHEMBL8558259 0.83 F2 (0.38) KDM4CLMNARXRARXRBRXRG
SCHEMBL6455060 0.81 KDM4C (0.33) KDM4CRXRARXRBRXRGHNF4A
SCHEMBL9253962 0.79 RXRA (0.53) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL7688528 0.78 RARA (0.34) KDM4CRXRARXRBRXRGRARA
SCHEMBL6708918 0.77 RARA (0.57) LMNAHPGDALDH1A1TDP1KMT2A
SCHEMBL8597955 0.75 KDM4E (0.43) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL6293050 0.75 RARA (0.60) CYP1A2CYP2C9ALDH1A1TSHRRXRA

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 5 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-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