SCHEMBL28643111

SCHEMBL28643111

COC(=O)C[C@H](CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.61
GABBR1 Q9UBS5 3/20 0.61
CYP2C9 P11712 3/20 0.61
LMNA P02545 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
NFKB1 P19838 1/20 0.61
DRD3 P35462 1/20 0.61
BLM P54132 1/20 0.61
CYP1A2 P05177 1/20 0.61
THRB P10828 1/20 0.61
TSHR P16473 1/20 0.61
FNTA P49354 6/20 0.57
FNTB P49356 6/20 0.57
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47

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
SCHEMBL17478303 1.00 GABBR2 (0.61) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL12268213 1.00 GABBR2 (0.61) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL13506383 0.93 GABBR2 (0.50) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL657723 0.87 GABBR2 (0.65) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL391659 0.86 GABBR2 (0.79) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL12268202 0.85 ALDH1A1 (0.61) GABBR2GABBR1MEN1KMT2AFNTA
SCHEMBL1811811 0.85 ALDH1A1 (0.61) GABBR2GABBR1MEN1KMT2AFNTA
SCHEMBL393911 0.84 GABBR2 (0.58) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL28014207 0.84 GABBR2 (0.76) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL14902415 0.84 GABBR2 (0.66) GABBR2GABBR1CYP2C9LMNACYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113564144-B Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2025-04-04 CN disclosed
CN-118956817-A Lipase mutant and application thereof 上海奥博生物医药股份有限公司 2024-11-15 CN disclosed
CN-113564144-A Lipase mutant and application thereof 上海奥博生物医药技术有限公司 2021-10-29 CN disclosed