SCHEMBL9979207

SCHEMBL9979207

CCCCC(N)=O.CCCCC(N)=O.CCCCC(N)=O.O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.49
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CNR1 P21554 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SOAT1 P35610 2/20 0.43
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
RARB P10826 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TPMT P51580 1/20 0.41
HSD17B3 P37058 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9978785 0.94 PLA2G2A (0.51) PLA2G2ACES2CES1CNR1KDM4E
SCHEMBL9978990 0.92 PLA2G2A (0.54) PLA2G2AKDM4ESOAT1TP53MEN1
SCHEMBL9979092 0.92 PLA2G2A (0.54) PLA2G2AKDM4ESOAT1TP53MEN1
SCHEMBL9979319 0.92 PLA2G2A (0.54) PLA2G2AKDM4ESOAT1TP53MEN1
Heptanamide SCHEMBL9979014 0.92 PLA2G2A (0.54) PLA2G2AKDM4ESOAT1TP53MEN1
Butyramide SCHEMBL2914115 0.89 TPMT (0.43) PLA2G2ACES2CES1KDM4ETP53
Hexane SCHEMBL29263834 0.84 PLA2G2A (0.62) PLA2G2ATP53MEN1KMT2ARARB
Benzoic Acid SCHEMBL17799552 0.84 CES2 (0.59) CES2CES1KDM4ETP53MEN1
Propionamide SCHEMBL9979259 0.82 TPMT (0.48) PLA2G2AKDM4ETP53MEN1CYP1A2
Hexane SCHEMBL28903581 0.82 PLA2G2A (0.60) PLA2G2ATP53MEN1KMT2ARARB

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
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed