SCHEMBL11546162

SCHEMBL11546162

C=CCNC(=O)C1CNc2cc(Cl)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.53
HSD17B10 Q99714 1/20 0.52
HPGD P15428 4/20 0.47
ATF4 P18848 4/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11544180 0.86 HSD17B10 (0.70) ADAMTS5HSD17B10HPGDKMT2ACYP1A2
SCHEMBL11547907 0.86 HSD17B10 (0.46) ADAMTS5HSD17B10HPGDATF4KMT2A
SCHEMBL11547612 0.83 HSD17B10 (0.49) ADAMTS5HSD17B10HPGDATF4KMT2A
SCHEMBL11547340 0.83 HSD17B10 (0.52) ADAMTS5HSD17B10HPGDATF4KMT2A
SCHEMBL11545033 0.83 ADAMTS5 (0.53) ADAMTS5HSD17B10HPGDKMT2ACYP1A2
SCHEMBL11546202 0.83 HPGD (0.67) ADAMTS5HSD17B10HPGDKMT2ACYP1A2
SCHEMBL11545981 0.81 HSD17B10 (0.49) ADAMTS5HSD17B10HPGDKMT2ACYP1A2
SCHEMBL11546891 0.79 HSD17B10 (0.57) HSD17B10HPGDKMT2ACYP1A2CYP3A4
SCHEMBL11527702 0.79 KMT2A (0.49) HPGDATF4KMT2ACYP1A2CYP3A4
SCHEMBL11640701 0.79 HTT (0.53) HPGDKMT2ACYP1A2CYP3A4CYP2C19

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
US-4164576-A LIPOGENESIS INHIBITORS IN MAMMALS SHELL OIL COMPANY (US) 1979-08-14 US disclosed