SCHEMBL9713828

SCHEMBL9713828

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 4/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ABCB11 O95342 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
BACE1 P56817 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
IDO1 P14902 1/20 0.40
PTGS2 P35354 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
SCHEMBL9629394 0.92 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9628361 0.90 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9713446 0.88 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627542 0.88 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL24596055 0.86 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9812680 0.86 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9627596 0.86 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9628130 0.84 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL11780453 0.82 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL12708461 0.82 KDM4E (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed