SCHEMBL9627675

SCHEMBL9627675

COc1cc(OC(C)=O)c2cc(Cl)ccc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.56
TNFSF11 O14788 1/20 0.45
MAOB P27338 1/20 0.43
AMY1A P0DUB6 1/20 0.42
TSHR P16473 1/20 0.41
ERN1 O75460 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NQO1 P15559 1/20 0.40
MGAM O43451 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR3C1 P04150 1/20 0.38

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
SCHEMBL9628088 0.86 MAOB (0.44) ABCB11MAOBAMY1AERN1MEN1
SCHEMBL9627379 0.85 ABCB11 (0.68) ABCB11TNFSF11AMY1ATSHRLMNA
SCHEMBL9629306 0.85 ABCB11 (0.68) ABCB11TNFSF11AMY1ATSHRLMNA
SCHEMBL9627602 0.85 ABCB11 (0.46) ABCB11TSHRLMNASMN1; SMN2MEN1
SCHEMBL9627715 0.84 TNFSF11 (0.46) TNFSF11MAOBTSHRLMNASMN1; SMN2
SCHEMBL9627905 0.82 TNFSF11 (0.45) TNFSF11AMY1ATSHRERN1LMNA
SCHEMBL9627969 0.82 TNFSF11 (0.45) TNFSF11TSHRERN1LMNASMN1; SMN2
SCHEMBL9627417 0.82 ABCB11 (0.68) ABCB11TNFSF11AMY1ATSHRLMNA
SCHEMBL9629380 0.81 HTT (0.55) TNFSF11TSHRLMNAMEN1KMT2A
SCHEMBL9628189 0.81 ABCB11 (0.70) ABCB11TNFSF11AMY1ALMNASMN1; SMN2

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-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene 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