SCHEMBL16116809

SCHEMBL16116809

CCOc1ccc(C[C@H](NC)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
LTA4H P09960 2/20 0.52
LAP3 P28838 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
PPARG P37231 3/20 0.50
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
KLKB1 P03952 1/20 0.49
MAPT P10636 2/20 0.48
S1PR1 P21453 1/20 0.48
ALOX5 P09917 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL23901567 0.92 LTA4H (0.61) LTA4HLAP3MMP9MMP8PPARG
SCHEMBL2059140 0.88 TACR1 (0.58) ACEMAPTS1PR1TACR1
SCHEMBL13108402 0.88 TACR1 (0.58) ACEMAPTS1PR1TACR1
SCHEMBL19465106 0.88 GAA (0.56) GAARAB9ALTA4HLAP3MMP9
SCHEMBL16063577 0.87 ATM (0.53) RAB9ALTA4HPPARGPPARATACR1
SCHEMBL12869907 0.85 TACR1 (0.53) MMEACEMAPTS1PR1TACR1
SCHEMBL10241678 0.85 TACR1 (0.53) MMEACEMAPTS1PR1TACR1
SCHEMBL19426879 0.85 TSHR (0.48) RAB9ALTA4HLAP3MMP9MMP8
SCHEMBL3499760 0.84 LTA4H (0.65) GAARAB9ALTA4HLAP3MMP9
SCHEMBL3499757 0.84 LTA4H (0.65) GAARAB9ALTA4HLAP3MMP9

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
WO-2017044584-A1 PSMA-TARGETED NIR DYES AND THEIR USES On Target Laboratories, LLC (US) 2017-03-16 WO disclosed
WO-2014149073-A1 METHODS OF MANUFACTURE AND SYNTHESIS OF AMINO ACID LINKING GROUPS CONJUGATED TO COMPOUNDS USED FOR TARGETED IMAGING OF TUMORS ON TARGET LABORATORIES LLC (US) 2014-09-25 WO disclosed