SCHEMBL8635452

SCHEMBL8635452

CC1(C)CCC(=O)c2cc(C(=O)OOC(=O)c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
F2 P00734 1/20 0.44
RXRA P19793 9/20 0.42
RARB P10826 8/20 0.42
RARG P13631 7/20 0.42
TDP1 Q9NUW8 2/20 0.40
RXRB P28702 6/20 0.39
RXRG P48443 5/20 0.39
RARA P10276 5/20 0.38
GRM5 P41594 1/20 0.38
GAA P10253 1/20 0.37
NR3C1 P04150 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 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
SCHEMBL6292717 0.84 CYP3A4 (0.48) LMNARXRARARBRARGRXRB
SCHEMBL6292577 0.82 RARB (0.51) LMNARXRARARBRARGRXRB
SCHEMBL8597955 0.81 KDM4E (0.43) LMNARXRARARBRARGTDP1
SCHEMBL6362862 0.79 MAPT (0.47) LMNARXRARARBRARGTDP1
SCHEMBL6240160 0.79 NPC1 (0.45) LMNARXRARARBRARGRXRB
SCHEMBL8632616 0.79 RARB (0.43) LMNARXRARARBRARGTDP1
SCHEMBL6814372 0.78 RXRA (0.49) RXRARARBRARGRXRBRXRG
SCHEMBL8771700 0.75 RXRA (0.67) RXRARARBRARGRXRBRXRG
SCHEMBL8125822 0.75 RARG (0.48) LMNARXRARARBRARGRXRB
SCHEMBL6362860 0.75 RXRA (0.43) RXRARARBRARGRXRBRXRG

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-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