SCHEMBL18155569

SCHEMBL18155569

CC=CCCC[C@](C)(NC)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.35
SOAT1 P35610 1/20 0.35
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL24473563 1.00 ACLY (0.35) ACLYSOAT1GMNNUSP2CYP1A2
SCHEMBL18155568 0.95 ACLY (0.43) ACLYSOAT1GMNNUSP2CYP1A2
SCHEMBL17131053 0.90 ACLY (0.42) ACLY
SCHEMBL24473356 0.86 ACLY (0.37) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL24473586 0.86 ACLY (0.37) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL24473590 0.82 TRPV1 (0.38) ACLY
SCHEMBL24473591 0.82 ACLY (0.37) ACLY
SCHEMBL13282208 0.79 ALDH1A1 (0.39) USP2CYP3A4RECQL
SCHEMBL13282112 0.79 ALDH1A1 (0.39) USP2CYP3A4RECQL
SCHEMBL19289866 0.79 ALDH1A1 (0.39) USP2CYP3A4RECQL

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
EP-3159352-A1 STITCHED POLYPEPTIDES President and Fellows of Harvard College (US) 2017-04-26 EP disclosed
EP-2508531-B1 Stitched polypeptides HARVARD COLLEGE (US) 2016-10-19 EP disclosed