SCHEMBL30544320

SCHEMBL30544320

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 3/20 0.61
▸ MMP1 P03956 2/20 0.57
▸ KISS1R Q969F8 15/20 0.55
▸ MMP2 P08253 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ IL1RN P18510 2/20 0.53
▸ ERAP1 Q9NZ08 1/20 0.53

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
SCHEMBL30469505 0.96 ERAP2 (0.58) ERAP2MMP1KISS1RMMP2MMP8
SCHEMBL30586709 0.94 ERAP2 (0.63) ERAP2MMP1KISS1RIL1RNERAP1
SCHEMBL31267924 0.93 ERAP2 (0.65) ERAP2MMP1KISS1RIL1RNERAP1
SCHEMBL30570473 0.92 ERAP2 (0.57) ERAP2MMP1KISS1RMMP2MMP8
SCHEMBL31484225 0.92 ERAP2 (0.57) ERAP2MMP1KISS1RMMP2MMP8
SCHEMBL30739993 0.92 ERAP2 (0.57) ERAP2MMP1KISS1R
SCHEMBL31267917 0.91 ERAP2 (0.57) ERAP2MMP1KISS1RMMP2MMP8
SCHEMBL30676224 0.91 ERAP2 (0.59) ERAP2MMP1KISS1R
SCHEMBL30469508 0.91 KISS1R (0.61) KISS1R
SCHEMBL31229004 0.91 ERAP2 (0.62) ERAP2KISS1RIL1RNERAP1

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-116716324-A Alkane degradation gene, protein and application thereof 山东省科学院生态研究所(山东省科学院中日友好生物技术研究中心) 2023-09-08 — — CN disclosed
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