SCHEMBL23933785

SCHEMBL23933785

NC/C=C/CNC(=O)C(O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.44
METAP1 P53582 2/20 0.44
TSHR P16473 1/20 0.43
MMP8 P22894 3/20 0.43
CNR2 P34972 1/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
CNR1 P21554 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL23933782 1.00 METAP2 (0.44) METAP2METAP1TSHRMMP8CNR2
SCHEMBL23933788 1.00 METAP2 (0.44) METAP2METAP1TSHRMMP8CNR2
SCHEMBL23933752 0.86 DPP4 (0.38) KMT2ASMN1; SMN2ALDH1A1CNR1MEN1
SCHEMBL23933882 0.86 DPP4 (0.38) KMT2ASMN1; SMN2ALDH1A1CNR1MEN1
SCHEMBL23933754 0.86 DPP4 (0.38) KMT2ASMN1; SMN2ALDH1A1CNR1MEN1
SCHEMBL23933749 0.86 DPP4 (0.38) KMT2ASMN1; SMN2ALDH1A1CNR1MEN1
SCHEMBL23933801 0.85 MMP2 (0.43) ANPEP
SCHEMBL23933799 0.85 MMP2 (0.43) ANPEP
SCHEMBL23933794 0.85 MMP2 (0.43) ANPEP
SCHEMBL23933768 0.84 ALDH1A1 (0.43) METAP2HTTKMT2ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed