SCHEMBL8041192

SCHEMBL8041192

C=CCCOc1ccc(Oc2ccc(N(C(C)=O)c3ccccc3C(=O)OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.41
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BLM P54132 1/20 0.36
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CASP1 P29466 1/20 0.35
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL8027754 0.89 ALDH1A1 (0.41) KDM4ERAB9ATDP1KMT2AGLA
SCHEMBL8037899 0.88 MAPT (0.51) TSPORAB9AMAPTTDP1KMT2A
SCHEMBL8037870 0.87 LTA4H (0.46) TSPORAB9AMAPTTDP1KMT2A
SCHEMBL8037882 0.85 LTA4H (0.48) TSPOMAPTSMN1; SMN2LTA4HL3MBTL1
SCHEMBL8044175 0.82 TSPO (0.43) TSPOKDM4EMAPTTDP1KMT2A
SCHEMBL6405714 0.82 ALOX5 (0.47) TSPORAB9ASMN1; SMN2ALDH1A1
SCHEMBL6403207 0.81 TSPO (0.45) TSPOTDP1KMT2ASMN1; SMN2LTA4H
SCHEMBL8039724 0.80 TSPO (0.41) TSPOKDM4ERAB9AMAPTTDP1
SCHEMBL8039723 0.78 PNLIP (0.47) TSPOKDM4EMAPTTDP1KMT2A
SCHEMBL8038284 0.78 ALDH1A1 (0.49) TSPORAB9AMAPTSMN1; SMN2LTA4H

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
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed