SCHEMBL6688014

SCHEMBL6688014

C=CCOC(=O)C(=C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
PAM P19021 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.40
CASP1 P29466 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL350915 0.88 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL4640716 0.85 ALDH1A1 (0.42) CYP3A4ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL9234831 0.85 CES2 (0.53) CYP3A4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL6696083 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SMN1; SMN2CES2
SCHEMBL203679 0.81 ALDH1A1 (0.61) CYP3A4ALDH1A1TSHRHSD17B10MAPK1
Acrylic Acid SCHEMBL28230352 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SMN1; SMN2CES2
SCHEMBL7086129 0.80 ALDH1A1 (0.49) CYP3A4ALDH1A1MAPK1L3MBTL1PKM
SCHEMBL27343662 0.80 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRHSD17B10MAPK1
Hydrochloric Acid SCHEMBL25259767 0.79 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL8397728 0.79 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474457-A1 METHOD OF MAKING ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS PPG Industries Ohio, Inc. (US) 2004-11-10 EP claimed
US-6677422-B2 MIXING MOLAR EXCESS OF DONOR MONOMER WITH ETHYLENICALLY UNSATURATED ACCEPTOR MONOMER, POLYMERIZING IN PRESENCE OF FREE RADICAL POLYMERIZATION INITIATOR, FORMING POLYMER CONTAINING ALTERNATING DONOR-ACCEPTOR SEGMENTS PPG INDUSTRIES OHIO, INC. 2004-01-13 US claimed
US-20030171515-A1 Method of making alternating copolymers of isobutylene type monomers PPG INDUSTRIES OHIO, INC. 2003-09-11 US claimed
WO-2003070794-A1 METHOD OF MAKING ALTERNATING COPOLYMERS OF ISOBUTYLENE TYPE MONOMERS PPG INDUSTRIES OHIO, INC. (US) 2003-08-28 WO claimed
EP-1363869-B1 PROCESS FOR THE PREPARATION OF ALKYL BENZOYLACRYLATES WEYLCHEM LAMOTTE (FR) 2015-04-08 EP disclosed
EP-1363869-A2 PROCESS FOR THE PREPARATION OF ALKYL BENZOYLACRYLATES Clariant (France) S.A. (FR) 2003-11-26 EP disclosed
WO-2002067847-A2 PROCESS FOR THE PREPARATION OF ALKYL BENZOYLACRYLATES CLARIANT (FRANCE) (FR) 2002-09-06 WO disclosed
US-5625021-A (METH)ACRYLATE POLYMERS ROEHM GMBH CHEMISHE FABRIK (DE) 1997-04-29 US disclosed
US-4824868-A 2-BENZYL-3-SUBSTITUTED-PHENOXYPROPYLAMINES, SEROTONIN UPTAKE INHIBITORS CIBA-GEIGY CORPORATION (US) 1989-04-25 US disclosed
US-4692469-A 2-BENZYL-3-(SUBSTITUTED)-PHENOXYPROPYLAMINES; APPETITE SUPRESSANTS CIBA-GEIGY CORPORATION (US) 1987-09-08 US disclosed
US-4588746-A Propylamine derivatives CIBA-GEIGY CORPORATION (US) 1986-05-13 US disclosed