SCHEMBL29630749

SCHEMBL29630749

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 4/20 0.61
▸ MMP2 P08253 3/20 0.55
▸ MMP1 P03956 3/20 0.55
▸ MMP9 P14780 3/20 0.55
▸ MMP8 P22894 3/20 0.55
▸ ACE P12821 2/20 0.55
▸ ECE1 P42892 4/20 0.54
▸ IL1RN P18510 3/20 0.53
▸ ERAP1 Q9NZ08 2/20 0.53
▸ MMP3 P08254 1/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ GHSR Q92847 1/20 0.51

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
SCHEMBL30830320 0.97 ERAP2 (0.58) ERAP2MMP2MMP1MMP9MMP8
SCHEMBL29531509 0.93 ERAP2 (0.65) ERAP2MMP2MMP1MMP9MMP8
SCHEMBL30567418 0.93 ERAP2 (0.65) ERAP2MMP2MMP1MMP9MMP8
SCHEMBL30799750 0.93 MMP9 (0.59) ERAP2MMP2MMP1MMP9MMP8
SCHEMBL30788012 0.90 ERAP2 (0.64) ERAP2MMP2MMP1MMP9MMP8
SCHEMBL31720529 0.89 ERAP2 (0.74) ERAP2MMP2MMP1MMP9MMP8
SCHEMBL30799516 0.89 CCKBR (0.57) ERAP2ERBB2OPRD1GHSR
SCHEMBL29828471 0.89 KDM4E (0.59) ERAP2MMP2MMP1MMP9MMP8
SCHEMBL30620990 0.88 ERAP2 (0.72) ERAP2MMP2MMP1MMP9MMP8
SCHEMBL9799753 0.88 ERAP2 (0.67) ERAP2ACEECE1

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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