SCHEMBL9627596

SCHEMBL9627596

CCCCOc1c(CC)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 7/20 0.41
FAAH O00519 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTGER4 P35408 1/20 0.38
SLC2A1 P11166 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
SCHEMBL9627542 0.93 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL9628361 0.87 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL9713828 0.86 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL9627763 0.84 HTT (0.47) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL9629440 0.83 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL9629394 0.82 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL9629352 0.80 HTT (0.46) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL9627934 0.79 HTT (0.44) KDM4EALDH1A1HTTTP53GAA
SCHEMBL10705544 0.79 HTT (0.41) KDM4EALDH1A1HTTTP53GAA
SCHEMBL9627780 0.78 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HTTTP53

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