SCHEMBL5693299

SCHEMBL5693299

O=C(O)c1ccc(C=Cc2ccc(O)cc2Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
MTOR P42345 1/20 0.63
APP P05067 4/20 0.56
TTR P02766 2/20 0.50
LCK P06239 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL5693297 1.00 NPC1 (0.63) NPC1MTORAPPTTRLCK
SCHEMBL9097106 0.89 APP (0.56) NPC1MTORAPPTTRPTPN2
SCHEMBL8900042 0.89 APP (0.56) NPC1MTORAPPTTRPTPN2
SCHEMBL8900814 0.89 APP (0.56) NPC1MTORAPPTTRPTPN2
SCHEMBL14156911 0.84 TYR (0.59) TTRLCKPTPN2PTPN1PTPN6
SCHEMBL14156913 0.84 TYR (0.59) TTRLCKPTPN2PTPN1PTPN6
SCHEMBL5692715 0.81 TTR (0.72) NPC1MTORTTRLCKCA2
SCHEMBL22887367 0.81 RARA (0.57) NPC1MTORAPPTTRLCK
SCHEMBL8319110 0.81 MIF (0.59) NPC1MTORAPPTTRLCK
SCHEMBL5692713 0.81 TTR (0.72) NPC1MTORTTRLCKCA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905164-B1 Liquid crystalline polyester compositions and their uses NIPPON MITSUBISHI OIL CORP (JP) 2006-05-03 EP disclosed
US-5989758-A EXHIBIT A LIQUID CRYSTALLINE PHASE AT TIME OF FUSION, WHICH CAN BE FIXED UPON COOLING BELOW THE LIQUID CRYSTALLINE TRANSITION TEMPERATURE; SPECIFIC MONOMERS 4,4'-STILBENEDIOLS, CATECHOLS, AND 4'-HYDROXY-4-STILBENECARBOXYLIC ACIDS NIPPON OIL COMPANY, LIMITED (JP) 1999-11-23 US disclosed
EP-0905164-A2 Liquid crystalline polyesters, their composition, and their uses NIPPON OIL CO., LTD. (JP) 1999-03-31 EP disclosed