SCHEMBL23399982

SCHEMBL23399982

CCc1c(NC(C)=O)c(=O)n(CC(C)C)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.44
DPP4 P27487 1/20 0.41
TSHR P16473 1/20 0.39
GAA P10253 3/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ABCB1 P08183 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL23403509 0.87 FPR2 (0.47) FPR2TSHRGAAPKMKMT2A
SCHEMBL23402362 0.85 TSHR (0.49) FPR2TSHRGAAPKMKMT2A
SCHEMBL23401246 0.85 FPR2 (0.48) FPR2TSHRGAAPKMKMT2A
SCHEMBL23403488 0.84 FPR2 (0.47) FPR2TSHRGAAPKMKMT2A
SCHEMBL23400618 0.84 DPP4 (0.41) DPP4TSHRGAAKMT2AALDH1A1
SCHEMBL23403267 0.83 FPR2 (0.53) FPR2TSHRGAAPKMKMT2A
SCHEMBL23400764 0.82 FPR2 (0.43) FPR2DPP4TSHRGAAKMT2A
SCHEMBL23403649 0.81 KDM4E (0.36) FPR2TSHRGAAKMT2AALDH1A1
SCHEMBL23403545 0.81 FPR2 (0.54) FPR2TSHRGAAPKMKMT2A
SCHEMBL23399009 0.80 TSHR (0.52) FPR2TSHRGAAKMT2AALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed