SCHEMBL9656973

SCHEMBL9656973

CCCOc1c(CCC)c(O)c2ccccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 8/20 0.45
HPGD P15428 8/20 0.45
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CFTR P13569 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 5/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CREB1 P16220 1/20 0.36
LTA4H P09960 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
SCHEMBL9656957 0.88 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL9657099 0.88 KDM4E (0.39) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL9657016 0.86 LTA4H (0.41) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL9657122 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL9656687 0.80 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL10644653 0.79 CREB1 (0.37) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL9656491 0.77 LTA4H (0.46) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11515576 0.75 CREB1 (0.40) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL9656934 0.74 HPGD (0.36) KDM4EALDH1A1HPGDCYP1A2GAA
SCHEMBL9654728 0.74 NR5A1 (0.50) KDM4EALDH1A1CYP3A4CYP2C9LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed