SCHEMBL28490761

SCHEMBL28490761

Oc1ccc(Cl)c(CCc2ccccc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 3/20 0.43
IGF1R P08069 1/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD17B2 P37059 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 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
SCHEMBL27336977 0.84 HPGD (0.45) CYP3A4ALOX15IGF1RHPGDKDM4E
SCHEMBL27568517 0.81 ALDH1A1 (0.46) MAPK1KDM4EALDH1A1HSP90AA1TDP1
SCHEMBL573758 0.80 HPGD (0.45) CYP3A4ALOX15IGF1RHPGDKDM4E
SCHEMBL29810179 0.80 HPGD (0.45) CYP3A4ALOX15IGF1RHPGDKDM4E
SCHEMBL9496073 0.79 ALOX15 (0.52) ALOX15IGF1RHPGDKDM4EALDH1A1
2-Chlorophenol SCHEMBL9482726 0.75 ALDH1A1 (0.68) MAPK1ALOX15IGF1RHPGDKDM4E
SCHEMBL9790331 0.74 MEN1 (0.50) CYP3A4ALOX15HPGDALDH1A1MEN1
SCHEMBL16355877 0.74 CA2 (0.60) CYP3A4ALOX15IGF1RHPGDCA1
SCHEMBL1932194 0.74 GPR84 (0.46) CYP3A4ALOX15IGF1RHPGDHSD17B10
SCHEMBL28985928 0.74 CYP3A4 (0.50) CYP3A4MAPK1ALOX15IGF1RALDH1A1

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
CN-108998037-B Preparation method of soil stabilizer 广西大学 2020-11-03 CN claimed