SCHEMBL22452698

SCHEMBL22452698

CN(c1ccc(Nc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.49
▸ FAAH O00519 5/20 0.49
▸ CNR2 P34972 4/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ ATM Q13315 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PKM P14618 1/20 0.43

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
SCHEMBL22452699 0.89 FAAH (0.53) EPHX2FAAHCNR2KMT2AMEN1
SCHEMBL22453032 0.84 CNR2 (0.47) EPHX2FAAHCNR2KMT2AMEN1
SCHEMBL22453561 0.79 CNR2 (0.53) EPHX2FAAHCNR2KMT2AMEN1
SCHEMBL22452514 0.79 NPC1 (0.47) EPHX2KMT2AMEN1ALDH1A1MAPT
SCHEMBL22452717 0.75 SERPINE1 (0.48) EPHX2KMT2AMEN1MAPTNPSR1
SCHEMBL22453323 0.73 FAAH (0.63) EPHX2FAAHCNR2ALDH1A1MAPT
SCHEMBL22453243 0.73 SERPINE1 (0.50) EPHX2KMT2AMEN1ALDH1A1MAPT
SCHEMBL22452816 0.72 FAAH (0.64) EPHX2FAAHCNR2ALDH1A1MAPT
SCHEMBL22452516 0.71 HIF1A (0.47) EPHX2KMT2AMEN1ALDH1A1MAPT
SCHEMBL14503290 0.71 FAAH (0.82) EPHX2FAAHCNR2KMT2AMEN1

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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