SCHEMBL8607221

SCHEMBL8607221

CCC(C)[C@H](NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.61
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CYP1A2 P05177 1/20 0.53
FAAH O00519 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
FPR2 P25090 2/20 0.48
ATM Q13315 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CA2 P00918 2/20 0.46
ANPEP P15144 1/20 0.46
CA1 P00915 1/20 0.46
TYR P14679 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5256446 1.00 SLC1A3 (0.61) SLC1A3CYP2C9CYP2C19CYP1A2FAAH
SCHEMBL5256444 1.00 SLC1A3 (0.61) SLC1A3CYP2C9CYP2C19CYP1A2FAAH
SCHEMBL28232199 0.88 CYP1A2 (0.54) SLC1A3CYP2C9CYP2C19CYP1A2FAAH
SCHEMBL1951462 0.84 SLC1A3 (0.69) SLC1A3CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL3363885 0.84 SLC1A3 (0.69) SLC1A3CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL1953003 0.84 SLC1A3 (0.69) SLC1A3CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL16124655 0.83 ALDH1A1 (0.49) SLC1A3CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL7529238 0.83 SLC1A3 (0.67) SLC1A3CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL2747979 0.83 MGLL (0.53) SLC1A3CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL1053125 0.83 MGLL (0.53) SLC1A3CYP2C9CYP2C19ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed
US-5723469-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-03 US disclosed
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
US-5574064-A Amino-acid amide derivatives, agricultural or horticultural fungicides, and method for producing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
EP-0425925-B1 Substituted amino acid amide derivatives, their preparation and use BAYER AG (DE) 1994-08-03 EP disclosed
US-5158962-A FUNGICIDAL SUBSTITUTED AMINO ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed
EP-0425925-A2 Substituted amino acid amide derivatives, their preparation and use BAYER AG (DE) 1991-05-08 EP disclosed