SCHEMBL9501375

SCHEMBL9501375

c1ccc(CC2CO2)c(CNCc2ccccc2CC2CO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CHRM2 P08172 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29826970 0.87 TDP1 (0.45) TSHRHIF1AKMT2ATDP1MEN1
SCHEMBL6480647 0.87 TDP1 (0.45) TSHRHIF1AKMT2ATDP1MEN1
Methane SCHEMBL27917831 0.85 TDP1 (0.43) TSHRHIF1AKMT2ATDP1MEN1
Ammonia Solution, Strong SCHEMBL27798784 0.85 TDP1 (0.43) TSHRHIF1AKMT2ATDP1MEN1
SCHEMBL30607492 0.81 TDP1 (0.41) TSHRHIF1AKMT2ATDP1MEN1
Methylamine SCHEMBL27872060 0.81 ALDH1A1 (0.41) TSHRHIF1AKMT2ATDP1MEN1
SCHEMBL28454337 0.81 TDP1 (0.41) TSHRHIF1AKMT2ATDP1MEN1
SCHEMBL28370227 0.78 IDO1 (0.40) TSHRHIF1AKMT2ATDP1MEN1
SCHEMBL27656053 0.78 PNMT (0.40) TSHRHIF1ATDP1TP53CYP3A4
SCHEMBL27546040 0.78 CTSB (0.49) TSHRTDP1CHRM2ALDH1A1GLA

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
EP-0285898-B1 PREPARATIONS AND PROCESSES FOR FINISHING LEATHER AND FOR COATING TEXTILES BAYER AG (DE) 1993-05-12 EP disclosed
EP-0226108-B1 COMPOSITIONS AND PROCESS FOR FINISHING LEATHER AND COATING TEXTILES BAYER AG (DE) 1990-03-21 EP disclosed
EP-0226108-A2 Compositions and process for finishing leather and coating textiles BAYER AG (DE) 1987-06-24 EP disclosed