SCHEMBL7201523

SCHEMBL7201523

Oc1c(Cl)cc(Cl)cc1NCCNc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.54
CYP3A4 P08684 3/20 0.54
RECQL P46063 2/20 0.54
HSPA5 P11021 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
TTR P02766 2/20 0.43
MAPT P10636 2/20 0.43
HIF1A Q16665 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
NR1I2 O75469 1/20 0.43
SLC22A3 O75751 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL19362697 0.76 HPGD (0.52) HSD17B10ALDH1A1TSHRCYP3A4RECQL
SCHEMBL11013255 0.76 HSD17B10 (0.56) HSD17B10ALDH1A1TSHRCYP3A4RECQL
SCHEMBL4968551 0.75 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHRCYP3A4RECQL
SCHEMBL4968980 0.74 ALDH1A1 (0.39) HSD17B10ALDH1A1TSHRCYP3A4RECQL
SCHEMBL4970133 0.74 ALDH1A1 (0.39) HSD17B10ALDH1A1TSHRCYP3A4RECQL
SCHEMBL184648 0.72 HSD17B10 (1.00) HSD17B10ALDH1A1TSHRCYP3A4RECQL
SCHEMBL8872103 0.72 HSD17B10 (1.00) HSD17B10ALDH1A1TSHRCYP3A4RECQL
SCHEMBL6410292 0.72 HSPA5 (0.62) HSD17B10ALDH1A1TSHRCYP3A4RECQL
SCHEMBL4345522 0.71 HPGD (0.50) HSD17B10ALDH1A1TSHRRECQLMEN1
SCHEMBL27868063 0.71 TSHR (0.44) HSD17B10ALDH1A1TSHRCYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362068-A2 NOVEL POLYMERISATION CATALYSTS BP Chemicals Limited (GB) 2003-11-19 EP disclosed
WO-2002050138-A2 NOVEL POLYMERISATION CATALYSTS BP CHEMICALS LIMITED (GB) 2002-06-27 WO disclosed