SCHEMBL9628192

SCHEMBL9628192

CCOc1c(CC(C)C)c(OC(C)=O)c2ccccc2c1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 4/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTGER4 P35408 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ABCB11 O95342 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9628361 0.85 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9641997 0.83 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627780 0.83 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627337 0.80 PDE4A (0.47) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627594 0.79 KMT2A (0.37) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9628378 0.79 KMT2A (0.37) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9627611 0.78 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9641835 0.78 ABCB11 (0.53) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9642812 0.78 ABCB11 (0.49) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9628321 0.78 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-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