SCHEMBL8635948

SCHEMBL8635948

CCOC(=O)CC1(O)CCC(C)(C)c2ccc(/C=C/OC(=O)c3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.44
RARG P13631 13/20 0.44
RARA P10276 11/20 0.44
RXRA P19793 7/20 0.38
GAA P10253 1/20 0.37
CYP26A1 O43174 2/20 0.37
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35

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
SCHEMBL8561429 1.00 RARB (0.44) RARBRARGRARARXRAGAA
Methane SCHEMBL8560449 0.85 RARB (0.44) RARBRARGRARARXRACYP26A1
SCHEMBL6293871 0.83 RARB (0.67) RARBRARGRARARXRACYP26A1
SCHEMBL6293872 0.83 RARB (0.67) RARBRARGRARARXRACYP26A1
SCHEMBL8560451 0.80 RARB (0.43) RARBRARGRARARXRACYP26A1
SCHEMBL8901599 0.77 GAA (0.47) GAAALDH1A1LMNACYP1A2MEN1
SCHEMBL8560444 0.76 RARB (0.45) RARBRARGRARARXRACYP26A1
SCHEMBL8560441 0.76 RARB (0.45) RARBRARGRARARXRACYP26A1
SCHEMBL6292622 0.74 RARB (0.40) RARBRARGRARARXRAGAA
SCHEMBL8632616 0.74 RARB (0.43) RARBRARGRARARXRAGAA

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