SCHEMBL8559347

SCHEMBL8559347

CC1(C)CCC(O)c2cc(C(=O)Oc3ccccc3C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ESR1 P03372 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
BLM P54132 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A3 Q01959 1/20 0.40
HSPA1A P0DMV8 2/20 0.39

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
SCHEMBL8560366 0.86 KDM4C (0.39) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL9253962 0.83 RXRA (0.53) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL6292641 0.81 RXRA (0.52) RXRARARBRARGRXRBRXRG
SCHEMBL8641120 0.81 LMNA (0.44) HSD17B10LMNAALDH1A1TSHRTDP1
SCHEMBL8642005 0.81 RXRA (0.40) LMNATSHRTDP1KMT2ARXRA
SCHEMBL7162481 0.79 RXRA (0.43) RXRARARBRARGRXRBRXRG
SCHEMBL6292634 0.79 RXRA (0.45) RXRARARBRARGRXRBRXRG
SCHEMBL8597955 0.78 KDM4E (0.43) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL9185721 0.76 RARA (0.53) KDM4EHSD17B10CYP1A2CYP2C9LMNA
SCHEMBL6292635 0.73 RARA (0.62) CYP1A2HPGDALDH1A1ESR1TDP1

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-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