SCHEMBL11546202

SCHEMBL11546202

C=CCNC(=O)C1CNc2ccccc2O1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.67
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.47
ALOX5 P09917 1/20 0.45
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 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
SCHEMBL11545033 0.85 ADAMTS5 (0.53) HPGDKMT2ALMNAHTTMEN1
SCHEMBL11544180 0.83 HSD17B10 (0.70) HPGDKMT2ALMNAHTTMEN1
SCHEMBL11546162 0.83 ADAMTS5 (0.53) HPGDKMT2ALMNAHTTMEN1
SCHEMBL11546891 0.83 HSD17B10 (0.57) HPGDKMT2ALMNAHTTMEN1
SCHEMBL4835296 0.82 HPGD (0.79) HPGDKMT2ALMNAHTTMEN1
SCHEMBL11554295 0.81 HPGD (0.45) HPGDKMT2ALMNAHTTMEN1
SCHEMBL24377953 0.81 HPGD (0.69) HPGDKMT2AHTTMEN1HSD17B10
SCHEMBL17432607 0.81 HPGD (1.00) HPGDKMT2AHTTMEN1HSD17B10
SCHEMBL11547612 0.80 HSD17B10 (0.49) HPGDKMT2ALMNAHTTMEN1
SCHEMBL11547340 0.80 HSD17B10 (0.52) HPGDKMT2ANPC1RAB9AHSD17B10

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