SCHEMBL9627780

SCHEMBL9627780

CCCc1c(OCC)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NCEH1 Q6PIU2 1/20 0.40
PTGER4 P35408 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PTGS2 P35354 2/20 0.36
ABCB11 O95342 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL9629440 0.90 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9628361 0.88 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL12708461 0.88 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9628241 0.87 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9641997 0.86 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9656619 0.83 ALOX5 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL9628192 0.83 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9658128 0.82 PABPC1 (0.41) ALDH1A1SMN1; SMN2MAPTNCEH1NPC1
SCHEMBL9642812 0.80 ABCB11 (0.49) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627611 0.80 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HTTMAPT

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