SCHEMBL8419892

SCHEMBL8419892

CCCC(C(=O)O)c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 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
SCHEMBL10385792 0.87 CYSLTR2 (0.44) PPARGALDH1A1FFAR1GPR84CYSLTR2
SCHEMBL5046409 0.87 CYSLTR2 (0.44) PPARGALDH1A1FFAR1GPR84CYSLTR2
SCHEMBL28454212 0.87 CYSLTR2 (0.44) PPARGALDH1A1FFAR1GPR84CYSLTR2
SCHEMBL1964214 0.86 LMNA (0.40) POLBALDH1A1HSD17B10CYP1A2ADRA1A
SCHEMBL31716228 0.86 LMNA (0.40) POLBALDH1A1HSD17B10CYP1A2ADRA1A
SCHEMBL6262528 0.81 ACP3 (0.41) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL22383428 0.81 TSHR (0.48) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL8015528 0.81 TSHR (0.48) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL1162115 0.79 PPARG (0.39) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL20534707 0.79 MEN1 (0.48) PPARGPPARAKDM4EALDH1A1CYP3A4

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
EP-3191453-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040225-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 WO disclosed
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed