SCHEMBL25690474

SCHEMBL25690474

CNC(=O)C(C)(CCC/C=C/CCCC(C)(NC)C(=O)NC)NC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.41
CNR1 P21554 1/20 0.36
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL18028034 0.86 ALDH1A1 (0.39)
SCHEMBL18028037 0.82 ALDH1A1 (0.43) ACLYUSP2CYP3A4RECQL
SCHEMBL17131053 0.82 ACLY (0.42) ACLYCNR1HRH3
SCHEMBL24473590 0.74 TRPV1 (0.38) ACLYCNR1
SCHEMBL24473591 0.74 ACLY (0.37) ACLYCNR1
SCHEMBL24473356 0.74 ACLY (0.37) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL24473586 0.74 ACLY (0.37) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL18155569 0.73 ACLY (0.35) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL24473563 0.73 ACLY (0.35) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL24473582 0.71 ACLY (0.41) ACLYCNR1CYP1A2CYP3A4CYP2C19

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
WO-2023097249-A2 COMPOSITIONS AND METHODS FOR DNA BINDING AND TRANSCRIPTIONAL REGULATION THE UNIVERSITY OF CHICAGO (US) 2023-06-01 WO disclosed