SCHEMBL29630432

SCHEMBL29630432

O=C(CNC(=O)[C@@H]1CCCN1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.48
OPRD1 P41143 7/20 0.47
OPRM1 P35372 6/20 0.47
CTSC P53634 3/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL29630395 0.92 CTSC (0.51) TERTOPRD1OPRM1CTSCHTR2C
SCHEMBL20415585 0.91 TERT (0.51) TERTCTSCHTR2CHTR2B
SCHEMBL30567412 0.90 CTSC (0.49) CTSC
SCHEMBL29630752 0.89 CTSC (0.48) CTSC
SCHEMBL29630411 0.84 ENPEP (0.46) OPRM1CTSC
SCHEMBL29540367 0.84 TERT (0.54) TERTCTSCHTR2CHTR2B
SCHEMBL29591490 0.83 CALCRL (0.48) TERTOPRD1OPRM1CTSC
SCHEMBL30487449 0.83 CTSC (0.57) TERTCTSCHTR2CHTR2B
SCHEMBL30052990 0.83 CTSC (0.57) TERTCTSCHTR2CHTR2B
SCHEMBL18374167 0.82 TERT (0.48) TERTCTSCHTR2CHTR2B

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