SCHEMBL21765698

SCHEMBL21765698

CCC(=O)N1CCN(C(C)=O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
BRD4 O60885 3/20 0.58
NOTUM Q6P988 8/20 0.54
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B3 P37058 1/20 0.45
ADORA1 P30542 1/20 0.45
AMPD2 Q01433 1/20 0.44

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
SCHEMBL21765696 0.93 POLB (0.57) POLBBRD4NOTUMCYP2C9CYP1A2
SCHEMBL27793255 0.81 POLB (0.48) POLBBRD4NOTUMCYP2C9CYP1A2
SCHEMBL9607910 0.78 NOTUM (0.58) POLBBRD4NOTUMCYP2C9CYP2D6
SCHEMBL20571442 0.78 HDAC1 (0.55) POLBNOTUMCYP2C9CYP1A2CYP2C19
SCHEMBL5006023 0.77 TSHR (0.75) POLBNOTUMTSHRMEN1KMT2A
SCHEMBL22605860 0.76 NOTUM (0.56) POLBBRD4NOTUMCYP2C9CYP2D6
SCHEMBL31053915 0.76 POLB (0.43) POLBCYP2C9CYP1A2CYP2C19TSHR
SCHEMBL21765659 0.75 TSHR (0.52) POLBBRD4NOTUMTSHRMEN1
SCHEMBL23174879 0.75 POLB (0.44) POLBNOTUMCYP2C9CYP1A2CYP2C19
SCHEMBL29520673 0.75 NOTUM (0.69) POLBNOTUMTSHRMEN1KMT2A

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-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed