SCHEMBL29630682

SCHEMBL29630682

NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 3/20 0.51
▸ QRFPR Q96P65 5/20 0.50
▸ MME P08473 1/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46

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
SCHEMBL29591024 0.97 CTSB (0.49) CTSBQRFPRMMEOPRM1OPRD1
SCHEMBL29591605 0.94 OPRD1 (0.51) CTSBQRFPROPRM1OPRD1OPRK1
SCHEMBL23142823 0.92 CTSB (0.55) CTSBQRFPRMMEOPRM1OPRD1
SCHEMBL30051999 0.92 CTSB (0.55) CTSBQRFPRMMEOPRM1OPRD1
SCHEMBL23142822 0.92 CTSB (0.55) CTSBQRFPRMMEOPRM1OPRD1
SCHEMBL30051480 0.92 CTSB (0.55) CTSBQRFPRMMEOPRM1OPRD1
SCHEMBL31514370 0.90 MME (0.53) MMEALDH1A1RAB9AACEMMP2
SCHEMBL2032501 0.89 MMP2 (0.56) MMEACEMMP2ITGB3ITGA2B
SCHEMBL2032499 0.89 MMP2 (0.56) MMEACEMMP2ITGB3ITGA2B
SCHEMBL16983210 0.89 MMP2 (0.56) MMEACEMMP2ITGB3ITGA2B

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
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