SCHEMBL23533403

SCHEMBL23533403

CCCCCCCC(=O)c1ccc2c(c1)c1cc(C(=O)C(C)(C)N3CCOCC3)ccc1n2CC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.48
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 3/20 0.43
THRA P10827 2/20 0.43
NPC1 O15118 3/20 0.42
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
NPY5R Q15761 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
PTGER4 P35408 1/20 0.39

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
SCHEMBL29413745 0.86 CNR2 (0.62) CNR2ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL29415349 0.86 CNR2 (0.62) CNR2ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL705522 0.86 CNR2 (0.62) CNR2ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL476866 0.86 CNR2 (0.62) CNR2ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL262367 0.84 CNR2 (0.59) CNR2ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL29391189 0.84 CNR2 (0.59) CNR2ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL22534570 0.82 HSD17B3 (0.54) CNR2ALDH1A1TSHRNPC1KDM4E
SCHEMBL15387690 0.81 CNR2 (0.58) CNR2ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL9762472 0.80 CNR2 (0.68) CNR2ALDH1A1NPC1HPGD
SCHEMBL9266413 0.78 CNR2 (0.54) CNR2ALDH1A1SMN1; SMN2TSHRMAPK1

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-2021125132-A1 CARBAMOYL OXIME COMPOUND, AND POLYMERIZATION INITIATOR AND POLYMERIZABLE COMPOSITION CONTAINING SAID COMPOUND 株式会社ADEKA 2021-06-24 WO disclosed