SCHEMBL27723976

SCHEMBL27723976

CCCC(C(=O)O)c1ccccc1CN

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CYSLTR2 Q9NS75 7/20 0.40
CYSLTR1 Q9Y271 7/20 0.40
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CMA1 P23946 1/20 0.35
AOC3 Q16853 1/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL28969842 0.83 CYSLTR2 (0.55) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL27473189 0.81 DPP4 (0.41) CYSLTR2CYSLTR1KDM4ECYP1A2TSHR
SCHEMBL5322911 0.81 MAPT (0.41) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL19951679 0.80 PPARG (0.39) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL1162115 0.80 PPARG (0.39) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL28306686 0.80 CYP1A2 (0.54) POLBKDM4EALDH1A1HSD17B10CYP1A2
Methane SCHEMBL28344019 0.79 PPARG (0.38) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL6262528 0.78 ACP3 (0.41) PPARGPPARAPOLBKDM4EALDH1A1
SCHEMBL8425190 0.78 ALDH1A1 (0.38) CYSLTR2CYSLTR1POLBKDM4EALDH1A1
SCHEMBL22383428 0.78 TSHR (0.48) PPARGPPARAPOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed
CN-101184731-A Indoline compounds FOURNIER LAB SA (FR) 2008-05-21 CN disclosed