SCHEMBL11700802

SCHEMBL11700802

CC1(C(C(N)=O)C(=O)[C@@H](N)CC(=O)O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP4 P27487 2/20 0.31
FAP Q12884 1/20 0.31
PITRM1 Q5JRX3 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
MME P08473 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8411779 0.76 ALDH1A1 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL17594901 0.72 GRIK1 (0.36) GRIK1GRIK2USP2ALDH1A1LMNA
SCHEMBL8028102 0.69 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2DPP4FAP
SCHEMBL14677430 0.69 GRIK1 (0.36) GRIK1GRIK2USP2ALDH1A1LMNA
SCHEMBL8670866 0.67 CYP2C19 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL27360095 0.67 ALDH1A1 (0.35) GRIK1USP2ALDH1A1LMNACYP1A2
SCHEMBL7646569 0.67 CYP2C19 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL22963815 0.66 MME (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6567364 0.66 ALDH1A1 (0.37) GRIK1GRIK2USP2ALDH1A1LMNA
SCHEMBL3336186 0.66 ALDH1A1 (0.37) GRIK1GRIK2USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29324-E N-Substituted aspartyl peptide amides G. D. SEARLE & CO. (US) 1977-07-26 US disclosed