SCHEMBL16917060

SCHEMBL16917060

Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(Oc6cccc(Oc7cccc(N8C(=O)c9ccc(C(=O)c%10ccc%11c(c%10)C(=O)N(c%10cccc(C)c%10)C%11=O)cc9C8=O)c7)c6)c4)C5=O)cc3C2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.57
▸ LPAR1 Q92633 1/20 0.55
▸ LPAR5 Q9H1C0 1/20 0.55
▸ LPAR3 Q9UBY5 1/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ BRD4 O60885 1/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ENPP2 Q13822 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPGD P15428 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
SCHEMBL14010051 0.93 HSD17B10 (0.53) HSD17B10LPAR1LPAR5LPAR3MAPK1
SCHEMBL13695473 0.92 HSD17B10 (0.54) HSD17B10LPAR1LPAR5LPAR3MAPK1
SCHEMBL17946141 0.91 MAPK1 (0.64) HSD17B10MAPK1MEN1KMT2AALDH1A1
SCHEMBL13695468 0.91 HSD17B10 (0.53) HSD17B10LPAR1LPAR5LPAR3MAPK1
SCHEMBL13156956 0.89 HSD17B10 (0.47) HSD17B10LPAR1LPAR5LPAR3MAPK1
SCHEMBL14010050 0.87 BRD4 (0.58) HSD17B10LPAR1LPAR5LPAR3MAPK1
SCHEMBL8276142 0.86 MAPK1 (0.58) HSD17B10MAPK1MEN1KMT2AALDH1A1
SCHEMBL12877826 0.85 HSD17B10 (0.54) HSD17B10LPAR1LPAR5LPAR3MAPK1
SCHEMBL15905656 0.84 BRD4 (0.57) HSD17B10LPAR1LPAR5LPAR3MAPK1
SCHEMBL17951023 0.83 HSD17B10 (0.63) HSD17B10LPAR1LPAR5LPAR3MEN1

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-9085720-B2 Highly aromatic compounds and polymers as precursors to carbon nanotube and metal nano particle compositions shaped solids THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-07-21 — — US disclosed
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