SCHEMBL9628130

SCHEMBL9628130

CCc1c(OC)c(O)c2ccccc2c1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 0.41
BACE1 P56817 3/20 0.41
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9629394 0.89 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL9628418 0.88 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL9812680 0.88 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL9627337 0.85 PDE4A (0.47) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL9713828 0.84 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627757 0.84 ALOX5 (0.46) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL9629259 0.83 ABCB11 (0.45) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL9642268 0.83 ABCB11 (0.55) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL24596049 0.82 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B
SCHEMBL9627671 0.81 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PDE4APDE4B

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