SCHEMBL7763555

SCHEMBL7763555

COC(=C(OC)c1ccc(N)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPT P10636 4/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAOA P21397 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL10873087 0.86 TSHR (0.56) TSHRMAPTCYP3A4ALDH1A1HTT
SCHEMBL4019330 0.86 TSHR (0.56) TSHRMAPTCYP3A4ALDH1A1HTT
SCHEMBL1603720 0.86 TSHR (0.56) TSHRMAPTCYP3A4ALDH1A1HTT
SCHEMBL11323400 0.81 ESR1 (0.47) TSHRCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL16213551 0.80 CES2 (0.52) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL31329257 0.79 RAB9A (0.46) TSHRMAPTALDH1A1L3MBTL1CYP2C9
SCHEMBL9311224 0.77 TSHR (0.52) TSHRMAPTCYP3A4ALDH1A1L3MBTL1
SCHEMBL7039288 0.76 TSHR (0.46) TSHRMAPTCYP3A4ALDH1A1HTT
SCHEMBL4797237 0.75 TSHR (0.50) TSHRMAPTCYP3A4ALDH1A1HTT
SCHEMBL1446678 0.74 TSHR (0.53) TSHRMAPTCYP3A4ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100325-A1 POLYMER LATEXES PREPARED FROM ETHYLENICALLY UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2001-05-23 EP disclosed
WO-2000005950-A1 POLYMER LATEXES PREPARED FROM ETHYLENICALLY UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2000-02-10 WO disclosed
EP-0960134-A1 IMPROVED EMULSION POLYMERIZATION PROCESS UTILIZING ETHYLENICALLY UNSATURATED AMINE SALTS OF SULFONIC, PHOSPHORIC AND CARBOXYLIC ACIDS STEPAN COMPANY (US) 1999-12-01 EP disclosed
WO-1998032773-A1 IMPROVED EMULSION POLYMERIZATION PROCESS UTILIZING ETHYLENICALLY UNSATURATED AMINE SALTS OF SULFONIC, PHOSPHORIC AND CARBOXYLIC ACIDS STEPAN COMPANY (US) 1998-07-30 WO disclosed