SCHEMBL4081034

SCHEMBL4081034

COc1ccc(O)c(CC(=O)Cc2cc(OC)ccc2O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HSD17B10 Q99714 1/20 0.53
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ERN1 O75460 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL6035932 0.87 HSD17B10 (0.70) MTNR1AMTNR1BHSD17B10CA1CA2
SCHEMBL8772666 0.87 MTNR1A (0.57) MTNR1AMTNR1BHSD17B10CA1CA2
SCHEMBL4034916 0.86 MTNR1A (0.56) MTNR1AMTNR1BHSD17B10CA1CA2
SCHEMBL805304 0.82 MTNR1A (0.55) MTNR1AMTNR1BHSD17B10CA1CA2
SCHEMBL21437884 0.82 EGFR (0.54) MTNR1AMTNR1BHSD17B10CA1CA2
SCHEMBL19554162 0.82 HSD17B10 (0.62) MTNR1AMTNR1BHSD17B10CA1CA2
SCHEMBL21437958 0.80 MTNR1A (0.51) MTNR1AMTNR1BHSD17B10CA1CA2
SCHEMBL51653 0.80 GAA (0.53) MTNR1AMTNR1BCA1CA2NPC1
SCHEMBL21550103 0.80 MTNR1A (0.50) MTNR1AMTNR1BHSD17B10CA1CA2
SCHEMBL7144108 0.80 HSD17B10 (0.51) HSD17B10NPC1RAB9APOLBALDH1A1

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
CN-118772065-A Preparation method of gefarnesyl key intermediate 上海工程技术大学 2024-10-15 CN disclosed
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed