SCHEMBL6922902

SCHEMBL6922902

COC(=O)c1ccc(OC)c2[nH]c3c(c12)CCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.39
ALOX15 P16050 2/20 0.38
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
TP53 P04637 1/20 0.38
GFER P55789 1/20 0.37
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 2/20 0.36
BTK Q06187 2/20 0.36
SLC6A3 Q01959 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL6922067 0.97 USP2 (0.43) GAAKDM4EUSP2HTTMAPT
SCHEMBL6920804 0.88 GFER (0.47) GAAKDM4EHTTMAPTALOX15
SCHEMBL6918015 0.85 GFER (0.50) GAAKDM4EUSP2HTTMAPT
SCHEMBL8327219 0.84 GFER (0.49) KDM4EMAPTALOX15CYP19A1NQO2
SCHEMBL6919528 0.78 MAPT (0.48) HTTMAPTTP53MAPK1MEN1
SCHEMBL6921519 0.78 PDE4D (0.58) GFER
SCHEMBL8320511 0.77 MAPT (0.48) HTTMAPTTP53MAPK1MEN1
SCHEMBL73836 0.76 NR1H2 (0.42) KDM4EMAPTMEN1KMT2A
SCHEMBL6920710 0.76 PDE4D (0.58) GFER
SCHEMBL15084465 0.75 MAPT (0.45) GAAKDM4EUSP2HTTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed