SCHEMBL11547340

SCHEMBL11547340

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
HPGD P15428 4/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
MAPT P10636 1/20 0.38
ATF4 P18848 1/20 0.38

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 0.85 HSD17B10 (0.70) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11546162 0.83 ADAMTS5 (0.53) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11547612 0.80 HSD17B10 (0.49) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11545033 0.80 ADAMTS5 (0.53) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11546202 0.80 HPGD (0.67) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11545981 0.80 HSD17B10 (0.49) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11546891 0.79 HSD17B10 (0.57) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11545591 0.79 HPGD (0.48) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL11547907 0.78 HSD17B10 (0.46) HSD17B10HPGDCYP1A2CYP3A4CYP2C9
SCHEMBL7818765 0.78 ALDH1A1 (0.48) HSD17B10HPGDCYP1A2CYP3A4CYP2C9

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