SCHEMBL9629372

SCHEMBL9629372

CCOc1c(C)c(OC(C)=O)c2ccccc2c1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 4/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPN1 P18031 2/20 0.40
PTGER4 P35408 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL9628321 0.97 KDM4E (0.50) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9627611 0.94 KDM4E (0.50) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9628364 0.91 KDM4E (0.51) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9641997 0.86 KDM4E (0.51) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9627619 0.86 KDM4E (0.50) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9628636 0.84 KDM4E (0.48) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9641835 0.84 ABCB11 (0.53) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9627763 0.83 HTT (0.47) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9627670 0.83 ABCB11 (0.59) KDM4EHSD17B10HTTMAPTTP53
SCHEMBL9713872 0.83 KDM4E (0.59) KDM4EHSD17B10HTTMAPTTP53

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