SCHEMBL2892828

SCHEMBL2892828

CC[C@H](CCC(=O)O)N1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
OPRD1 P41143 3/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32

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
SCHEMBL4640721 0.89 CYP1A2 (0.35) CYP1A2OPRD1ALDH1A1SIGMAR1GABRP
SCHEMBL3301449 0.78 KDM4E (0.31) OPRD1KDM4EALDH1A1TDP1TP53
SCHEMBL7525561 0.77 SIGMAR1 (0.35) OPRD1SIGMAR1TDP1ITGB3ITGA2B
SCHEMBL1128494 0.75 CYP1A2 (0.39) CYP1A2OPRD1KDM4EALDH1A1TDP1
SCHEMBL27364957 0.73 CYP1A2 (0.45) CYP1A2OPRD1SIGMAR1GABRPGABRD
SCHEMBL9621736 0.73 OPRD1 (0.40) OPRD1KDM4EALDH1A1SIGMAR1TDP1
SCHEMBL10706437 0.71 FAAH (0.39) CYP1A2ALDH1A1GABRPGABRDGABRA1
SCHEMBL28335967 0.69 CYP1A2 (0.41) CYP1A2OPRD1KDM4EALDH1A1SIGMAR1
SCHEMBL28176063 0.69 KDM4E (0.39) OPRD1KDM4EALDH1A1SIGMAR1ITGB3
Phenol SCHEMBL27408650 0.69 OPRD1 (0.44) OPRD1KDM4EALDH1A1TP53OPRM1

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-7666977-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-02-23 US disclosed
WO-2008136842-A1 POLY( CARBONATE-CO-UREA) COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-11-13 WO disclosed
WO-2008136841-A1 POLY(CARBONATE-CO-UREA) COPOLYMERS AND MELT TRANSESTERIFICATION METHOD OF PREPARING THESE COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-11-13 WO disclosed
US-20080275209-A1 POLY(CARBONATE-CO-UREA) COPOLYMERS AND MELT TRANSESTERIFICATION METHOD OF PREPARING THESE COPOLYMERS GENERAL ELECTRIC COMPANY (US) 2008-11-06 US disclosed
US-20080275206-A1 POLY(CARBONATE-CO-UREA) COPOLYMERS AND MELT TRANSESTERIFICATION METHOD OF PREPARING THESE COPOLYMERS GENERAL ELECTRIC COMPANY (US) 2008-11-06 US disclosed