SCHEMBL30387166

SCHEMBL30387166

CNCC(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 9/20 0.51
CMKLR2 P46091 1/20 0.51
CMKLR1 Q99788 1/20 0.51
TBXAS1 P24557 2/20 0.50
FOLH1 Q04609 1/20 0.47
ECE1 P42892 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL6307446 0.85 GPR132 (0.54) GPR132CMKLR2CMKLR1TBXAS1FOLH1
SCHEMBL6307451 0.85 GPR132 (0.54) GPR132CMKLR2CMKLR1TBXAS1FOLH1
SCHEMBL14456823 0.84 L3MBTL1 (0.60) ECE1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL19974071 0.84 L3MBTL1 (0.60) ECE1L3MBTL1HDAC3HDAC4HDAC1
SCHEMBL3781113 0.83 GPR132 (0.55) GPR132CMKLR2CMKLR1TBXAS1FOLH1
SCHEMBL6192282 0.83 GPR132 (0.55) GPR132CMKLR2CMKLR1TBXAS1FOLH1
SCHEMBL3781118 0.83 GPR132 (0.55) GPR132CMKLR2CMKLR1TBXAS1FOLH1
SCHEMBL30801050 0.83 GPR132 (0.55) GPR132CMKLR2CMKLR1TBXAS1FOLH1
SCHEMBL6220905 0.83 TBXAS1 (0.57) GPR132CMKLR2CMKLR1TBXAS1FOLH1
SCHEMBL14640282 0.83 TBXAS1 (0.57) GPR132CMKLR2CMKLR1TBXAS1FOLH1

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-115969752-B Application of soapberry fermentation product in regulating skin microecological balance 广州环亚化妆品科技股份有限公司 2024-03-01 CN disclosed
CN-115969752-A Application of soapberry fermentation product in regulating skin micro-ecological balance 广州环亚化妆品科技股份有限公司 2023-04-18 CN disclosed