SCHEMBL8224671

SCHEMBL8224671

C=CCN(CC=C)c1cc(O)cc(N(CC=C)CC=C)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.37
OPRD1 P41143 5/20 0.37
OPRK1 P41145 5/20 0.37
CHKA P35790 1/20 0.36
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
PTPN1 P18031 2/20 0.32
ALOX5 P09917 1/20 0.32
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL18127463 0.95 OPRM1 (0.37) OPRM1OPRD1OPRK1CHKAESR1
SCHEMBL5306209 0.79 ALDH1A1 (0.58) OPRM1OPRD1OPRK1CHKAESR1
SCHEMBL1018958 0.77 ESR1 (0.45) OPRM1OPRD1OPRK1CHKAESR1
SCHEMBL699157 0.77 HSD17B10 (0.39) OPRM1OPRD1OPRK1CHKAESR1
SCHEMBL8761811 0.77 CYP3A4 (0.39) OPRM1OPRD1OPRK1CHKAALDH1A1
SCHEMBL10694157 0.74 CHKA (0.41) OPRM1OPRD1OPRK1CHKAESR1
SCHEMBL11129148 0.74 CYP3A4 (0.38) OPRM1OPRD1OPRK1CHKAALDH1A1
SCHEMBL5133173 0.74 PTGS1 (0.36) OPRM1OPRD1OPRK1ESR1ALDH1A1
SCHEMBL15324519 0.73 CRHR1 (0.41) OPRK1CHKAALDH1A1TSHR
SCHEMBL13435528 0.73 CHKA (0.36) CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505981-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device CHI MEI CORPORATION (TW) 2016-11-29 US disclosed
US-20150274969-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF CHI MEI CORPORATION (TW) 2015-10-01 US disclosed
US-20150274969-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF CHI MEI CORPORATION (TW) 2015-10-01 US disclosed
US-20150275092-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE CHI MEI CORPORATION (TW) 2015-10-01 US disclosed
CN-101921202-B Process for producing 1-sbustituted 3, 5-diaminobenzene JSR CORP 2014-07-09 CN disclosed
JP-2010285367-A METHOD FOR PRODUCING 1-POSITION SUBSTITUTED 3,5-DIAMINOBENZENE JSR CORP 2010-12-24 JP disclosed