SCHEMBL29462962

SCHEMBL29462962

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.53
▸ KISS1R Q969F8 7/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MPO P05164 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ ACE P12821 2/20 0.47
▸ PRMT1 Q99873 1/20 0.47
▸ OPRM1 P35372 2/20 0.46
▸ OPRD1 P41143 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ OPRL1 P41146 2/20 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
SCHEMBL29462956 1.00 ERAP2 (0.53) ERAP2KISS1RSIRT5KDM4EMEN1
SCHEMBL31146254 0.96 GHSR (0.50) ERAP2KISS1RSIRT5PRMT1NPBWR1
SCHEMBL29799941 0.96 KDM4E (0.54) ERAP2KISS1RKDM4EMEN1LMNA
SCHEMBL30919237 0.95 KISS1R (0.54) ERAP2KISS1RSIRT5
SCHEMBL30053160 0.94 KISS1R (0.50) ERAP2KISS1RSIRT5KDM4EMEN1
SCHEMBL29732417 0.94 KDM4E (0.52) KISS1RSIRT5KDM4EMEN1LMNA
SCHEMBL30148431 0.94 KDM4E (0.52) KISS1RSIRT5KDM4EMEN1LMNA
SCHEMBL30305639 0.94 KDM4E (0.52) KISS1RSIRT5KDM4EMEN1LMNA
SCHEMBL29799999 0.94 KDM4E (0.52) KISS1RSIRT5KDM4EMEN1LMNA
SCHEMBL29732484 0.94 KDM4E (0.52) KISS1RSIRT5KDM4EMEN1LMNA

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
CN-113880936-B Solid-phase synthesis method of abamectin 浙江湃肽生物有限公司南京分公司 2022-03-29 — — CN disclosed
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