SCHEMBL8071333

SCHEMBL8071333

Cc1c(C(C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C)[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 5/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35

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
SCHEMBL8897373 0.80 GPR84 (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8897895 0.77 ALOX5 (0.39) ALDH1A1HSD17B10MAPTHPGDMEN1
SCHEMBL8060915 0.76 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8075184 0.72 EYA3 (0.32) KDM4E
SCHEMBL10794821 0.71 MAPT (0.50) MAPTMEN1KMT2AKDM4ETP53
SCHEMBL8069849 0.69 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8897007 0.69 ALOX5 (0.51) GAACYP1A2ALOX15
SCHEMBL8060767 0.69 ALOX5 (0.53) ALDH1A1HSD17B10HPGDHDAC1HDAC3
SCHEMBL8771878 0.68 MMP13 (0.33) GAACYP1A2CYP2C9CYP2C19
SCHEMBL8069827 0.67 MAPT (0.34) MAPT

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
EP-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed