SCHEMBL9629355

SCHEMBL9629355

CCCc1c(OC)c(O)c2ccc(C)cc2c1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.48
LDHB P07195 3/20 0.48
ABCB11 O95342 1/20 0.43
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ALOX5 P09917 5/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9627592 0.90 ABCB11 (0.51) LDHALDHBABCB11HSD17B10KDM4E
SCHEMBL9628133 0.86 ABCB11 (0.61) LDHALDHBABCB11HSD17B10KDM4E
SCHEMBL9657958 0.85 LDHA (0.48) LDHALDHBABCB11HSD17B10KDM4E
SCHEMBL9657719 0.83 LDHA (0.49) LDHALDHBHSD17B10KDM4EHTT
SCHEMBL9643178 0.83 ABCB11 (0.57) LDHALDHBABCB11HSD17B10KDM4E
SCHEMBL9627724 0.81 ALOX5 (0.48) LDHALDHBABCB11HTTMAPT
SCHEMBL9627757 0.78 ALOX5 (0.46) HSD17B10KDM4EHTTTP53MAPT
SCHEMBL9642660 0.77 ABCB11 (0.57) LDHALDHBABCB11HSD17B10KDM4E
SCHEMBL9629259 0.77 ABCB11 (0.45) ABCB11KDM4EMAPTPDE4APDE4B
SCHEMBL9644167 0.76 ABCB11 (0.69) ABCB11HSD17B10KDM4EHTTTP53

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-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed