SCHEMBL21765696

SCHEMBL21765696

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 3/20 0.50
ADORA1 P30542 1/20 0.49
ALDH1A1 P00352 5/20 0.49
BLM P54132 1/20 0.49
KDM4E B2RXH2 2/20 0.47
BRD4 O60885 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NOTUM Q6P988 3/20 0.45

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
SCHEMBL21765698 0.93 POLB (0.68) POLBCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL20571442 0.84 HDAC1 (0.55) POLBCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL5006023 0.83 TSHR (0.75) POLBTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL31053915 0.82 POLB (0.43) POLBCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL21765659 0.81 TSHR (0.52) POLBTSHRALDH1A1KDM4EBRD4
SCHEMBL23174879 0.81 POLB (0.44) POLBCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL29520673 0.81 NOTUM (0.69) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL3660180 0.81 NOTUM (0.69) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL13525163 0.79 NOTUM (0.69) POLBCYP2C19ALDH1A1MAPTKMT2A
SCHEMBL24925819 0.79 ALDH1A1 (0.62) POLBTSHRALDH1A1KDM4ESMN1; SMN2

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