SCHEMBL22453093

SCHEMBL22453093

COC(=O)c1ccccc1Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.57
▸ FAAH O00519 4/20 0.56
▸ MAPT P10636 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ EPHX2 P34913 3/20 0.54
▸ PKM P14618 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL22452816 0.87 FAAH (0.64) CNR2FAAHMAPTEPHX2PKM
SCHEMBL22453323 0.86 FAAH (0.63) CNR2FAAHMAPTEPHX2PKM
SCHEMBL22453221 0.83 HIF1A (0.51) MAPTALOX15EPHX2HPGDTSHR
SCHEMBL22452577 0.83 HIF1A (0.51) MAPTALOX15EPHX2HPGDTSHR
SCHEMBL22453769 0.81 MAPT (0.50) MAPTALOX15EPHX2KDM4EALDH1A1
SCHEMBL22452503 0.80 MAPT (0.58) CNR2MAPTALOX15EPHX2KDM4E
SCHEMBL19736415 0.80 CNR2 (0.76) CNR2FAAHMAPTEPHX2PKM
SCHEMBL22453751 0.79 HPGD (0.55) MAPTEPHX2KDM4EALDH1A1HPGD
SCHEMBL13224505 0.77 MAPT (0.89) MAPTALOX15KDM4EALDH1A1HPGD
SCHEMBL22452652 0.76 EPHX2 (0.61) CNR2MAPTALOX15EPHX2KDM4E

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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