SCHEMBL29630530

SCHEMBL29630530

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.51
TERT O14746 1/20 0.47
CALCRL Q16602 1/20 0.47
REN P00797 1/20 0.46
OPRD1 P41143 5/20 0.46
OPRM1 P35372 4/20 0.46
OPRK1 P41145 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
PSMB5 P28074 2/20 0.43
MME P08473 1/20 0.43
LTA4H P09960 1/20 0.43
ANPEP P15144 1/20 0.43
ECE1 P42892 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
SCHEMBL29590710 0.90 OPRD1 (0.49) CTSCTERTCALCRLRENOPRD1
SCHEMBL29947748 0.90 CTSC (0.59) CTSCCALCRLRENPSMB5MME
SCHEMBL30487449 0.89 CTSC (0.57) CTSCTERTHTR2CHTR2B
SCHEMBL30052990 0.89 CTSC (0.57) CTSCTERTHTR2CHTR2B
SCHEMBL29630395 0.88 CTSC (0.51) CTSCTERTCALCRLRENOPRD1
SCHEMBL29630612 0.87 CTSC (0.53) CTSCTERTCALCRLRENOPRD1
SCHEMBL464708 0.86 CTSC (0.48) CTSCTERTRENOPRD1OPRM1
SCHEMBL30403286 0.85 KMT2A (0.54) CTSCTERTRENLTA4H
SCHEMBL29805502 0.84 TERT (0.45) CTSCTERTHTR2CHTR2BLTA4H
SCHEMBL29466214 0.83 TERT (0.43) CTSCTERTCALCRLHTR2CHTR2B

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed