SCHEMBL9657122

SCHEMBL9657122

CCCc1c(OC)c(O)c2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.42
CFTR P13569 2/20 0.41
ALOX5 P09917 4/20 0.40
HSD17B10 Q99714 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ERN1 O75460 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
SCHEMBL9657975 0.88 ALOX5 (0.54) KDM4EALDH1A1HPGDGAACFTR
SCHEMBL9656389 0.87 ALOX5 (0.56) KDM4EALDH1A1HPGDGAACFTR
SCHEMBL9656088 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL9656957 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL9656973 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDCYP1A2GLA
SCHEMBL9657719 0.82 LDHA (0.49) KDM4EALDH1A1HPGDCYP3A4ALOX5
SCHEMBL9627705 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL9629454 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL9654924 0.81 ABCB11 (0.42) KDM4EALDH1A1HPGDCFTRALOX5
SCHEMBL9657723 0.81 ALOX5 (0.38) KDM4EALDH1A1HPGDALOX5

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