SCHEMBL6829635

SCHEMBL6829635

CCCCC(C)(Oc1ccc(Oc2cccc(C#N)c2F)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 5/20 0.39
PPARA Q07869 5/20 0.39
PPARD Q03181 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TBXA2R P21731 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
AR P10275 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EZH2 Q15910 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4452562 0.80 TBXA2R (0.47) ALDH1A1HPGDPPARGPPARAPPARD
SCHEMBL5442371 0.80 TBXA2R (0.47) ALDH1A1HPGDPPARGPPARAPPARD
SCHEMBL4550641 0.75 PPARA (0.54) PPARGPPARATP53
SCHEMBL11165307 0.73 PPARA (0.46) MAPK14PPARGPPARAPPARDPOLB
SCHEMBL28567745 0.71 ESR1 (0.49) PPARGPPARAKDM4ETP53SMN1; SMN2
SCHEMBL3966243 0.71 PPARA (0.52) PPARGPPARATP53
SCHEMBL11548438 0.71 ADORA3 (0.48) ALDH1A1HPGDPPARGPPARAPPARD
SCHEMBL12100931 0.71 POLB (0.54) MAPK14LPAR1LPAR5ALDH1A1HPGD
SCHEMBL29129794 0.70 PPARG (0.51) PPARGPPARATP53
SCHEMBL10731728 0.70 PPARA (0.37) PPARGPPARAPPARDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6746684-B2 CORE COATED WITH A RESIN WALL MATERIAL FORMED BY WATER-SOLUBLE MELAMINE-FORMALDEHYDE RESIN TO POLYCONDENSATION IN A DISPERSANT OF CONDENSATION PRODUCT OF (ALKYL)NAPHTHALENE-SULFONIC ACID AND FORMALDEHYDE SYNGENTA CROP PROTECTION, INC. 2004-06-08 US disclosed
EP-1170997-B1 MICROENCAPSULATED SOLID PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-03-26 EP disclosed
US-20020081337-A1 Microencapsulated solid pesticides MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH 2002-06-27 US disclosed
EP-1170997-A1 MICROENCAPSULATED SOLID PESTICIDES Syngenta Participations AG (CH) 2002-01-16 EP disclosed
WO-2000062612-A1 MICROENCAPSULATED SOLID PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-10-26 WO disclosed