SCHEMBL29624575

SCHEMBL29624575

CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
GHSR Q92847 3/20 0.46
PTPN1 P18031 1/20 0.45
MME P08473 3/20 0.43
ACE P12821 3/20 0.43
MMP13 P45452 1/20 0.43
MAOB P27338 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL1401196 1.00 CTSB (0.49) CTSBCTSSCTSKGHSRPTPN1
SCHEMBL31407327 1.00 CTSB (0.49) CTSBCTSSCTSKGHSRPTPN1
SCHEMBL7286769 1.00 CTSB (0.49) CTSBCTSSCTSKGHSRPTPN1
SCHEMBL3266674 1.00 CTSB (0.49) CTSBCTSSCTSKGHSRPTPN1
SCHEMBL8299432 0.89 CTSB (0.43) CTSBCTSSCTSKGHSRPTPN1
SCHEMBL8717981 0.88 CTSB (0.47) CTSBCTSSCTSKGHSRPTPN1
SCHEMBL7658636 0.88 CTSB (0.47) CTSBCTSSCTSKGHSRPTPN1
SCHEMBL6317705 0.87 GHSR (0.48) CTSBCTSSCTSKGHSRPTPN1
SCHEMBL2476924 0.86 MMP13 (0.46) CTSBCTSSCTSKACEMMP13
SCHEMBL1401042 0.86 MMP13 (0.46) CTSBCTSSCTSKACEMMP13

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
CN-112300247-B Teixobactin analogue and application thereof 广东东阳光药业有限公司 2022-12-27 CN disclosed
EP-4004015-A1 A TEIXOBACTIN ANALOGUE AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-06-01 EP disclosed