SCHEMBL30834724

SCHEMBL30834724

NC(=O)CC[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.56
OPRD1 P41143 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
ACE P12821 3/20 0.50
PRMT1 Q99873 1/20 0.50
ERAP2 Q6P179 2/20 0.49
ALOX15 P16050 1/20 0.48
ITGB2 P05107 2/20 0.48
ICAM1 P05362 2/20 0.48
ITGAL P20701 2/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL30563239 0.93 OPRD1 (0.67) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL29493326 0.90 PRMT1 (0.63) OPRM1OPRD1ACEPRMT1ERAP2
SCHEMBL5970454 0.90 KDM4E (0.62) KDM4EMEN1LMNAMPOMAPT
SCHEMBL21641798 0.90 KDM4E (0.62) KDM4EMEN1LMNAMPOMAPT
SCHEMBL30052764 0.90 KDM4E (0.62) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL31541502 0.88 OPRM1 (0.55) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL30051323 0.87 OPRM1 (0.68) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL30051547 0.87 CTSC (0.60) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL30323757 0.87 OPRD1 (0.53) OPRM1OPRD1KDM4EMEN1LMNA
SCHEMBL30625852 0.87 OPRD1 (0.58) OPRM1OPRD1KMT2AACELTA4H

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
US-20240091375-A1 AN ANTIBODY FRAGMENT BASED ANTIMICROBIAL CONJUGATE SELECTIVELY TARGETING PSEUDOMONAS ABGENICS LIFESCIENCES PRIVATE LIMITED (IN) 2024-03-21 US disclosed