SCHEMBL6693077

SCHEMBL6693077

CCCc1ccc(C)c(OC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
TRPV1 Q8NER1 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
AKT1 P31749 1/20 0.47
PKM P14618 1/20 0.46
LTA4H P09960 2/20 0.44
CFD P00746 1/20 0.44
PTGS1 P23219 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CCR5 P51681 1/20 0.41
THRB P10828 1/20 0.41
PTPN1 P18031 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HTT P42858 1/20 0.41
NCEH1 Q6PIU2 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9588895 0.86 TRPV1 (0.60) TRPV1CYP4F2CYP4A11AKT1LTA4H
SCHEMBL22070582 0.83 CYP4F2 (0.68) ACHECYP4F2CYP4A11AKT1PKM
SCHEMBL357406 0.82 PTGS1 (0.64) TRPV1AKT1LTA4HPTGS1NPC1
SCHEMBL13878257 0.81 AKT1 (0.51) TRPV1CYP4F2CYP4A11AKT1LTA4H
SCHEMBL14290044 0.81 BCHE (0.44) ACHEHTTNPC1ALDH1A1POLB
SCHEMBL108772 0.79 TRPV1 (0.50) ACHETRPV1CYP4F2CYP4A11AKT1
SCHEMBL6896159 0.78 PKM (0.40) ACHEPKMPPARGPPARATHRB
SCHEMBL11556750 0.78 CFD (0.74) TRPV1AKT1CFDPTGS1PPARG
SCHEMBL13424386 0.77 PLK1 (0.44) PPARGPPARATHRBCNR1CNR2
SCHEMBL178977 0.77 TRPV1 (0.57) TRPV1CYP4F2CYP4A11AKT1LTA4H

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-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed