SCHEMBL9753236

SCHEMBL9753236

N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.56
▸ OPRM1 P35372 2/20 0.55
▸ OPRD1 P41143 2/20 0.55
▸ ACE P12821 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ECE1 P42892 4/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ ERAP2 Q6P179 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
SCHEMBL9753233 1.00 PRMT1 (0.56) PRMT1OPRM1OPRD1ACEKDM4E
SCHEMBL30255956 0.94 ACE (0.58) PRMT1OPRM1OPRD1ACEKDM4E
SCHEMBL30605164 0.92 ACE (0.59) OPRM1OPRD1ACEKDM4EMEN1
SCHEMBL31256945 0.89 OPRD1 (0.71) OPRM1OPRD1ERAP2
SCHEMBL29683525 0.88 ACE (0.56) PRMT1OPRM1OPRD1ACEKDM4E
SCHEMBL31742584 0.87 PRMT1 (0.59) PRMT1OPRM1OPRD1ACEERAP2
SCHEMBL30358212 0.87 ACE (0.54) OPRM1OPRD1ACEERAP2
SCHEMBL30605162 0.86 ECE1 (0.57) PRMT1OPRM1OPRD1ACEKDM4E
SCHEMBL30605176 0.86 ECE1 (0.57) PRMT1OPRM1OPRD1ACEKDM4E
SCHEMBL30052764 0.86 KDM4E (0.62) OPRM1OPRD1ACEKDM4EMEN1

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-1991008226-A1 SPERM ANTIGEN CORRESPONDING TO A SPERM AUTOANTIGENIC EPITOPE AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1991-06-13 — — WO disclosed
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