SCHEMBL8607205

SCHEMBL8607205

CC(NC(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CCR1 P32246 1/20 0.49
MMP8 P22894 1/20 0.45
BACE1 P56817 3/20 0.45
CTSD P07339 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
TPSAB1 Q15661 2/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8607199 1.00 TSHR (0.51) TSHRNPC1RAB9ACCR1MMP8
SCHEMBL8606117 0.77 SLC1A3 (0.51) NPC1RAB9ACCR1LMNAALDH1A1
SCHEMBL8606112 0.77 SLC1A3 (0.51) NPC1RAB9ACCR1LMNAALDH1A1
SCHEMBL3274554 0.77 NPC1 (0.65) NPC1RAB9ATAAR1LMNAALDH1A1
SCHEMBL8607202 0.74 CCR1 (0.48) TSHRNPC1RAB9ACCR1TAAR1
SCHEMBL8771828 0.74 CCR1 (0.45) RAB9ACCR1
SCHEMBL8607179 0.74 TSHR (0.52) TSHRNPC1RAB9AMMP8BACE1
SCHEMBL2610079 0.74 EPHX2 (0.60) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL8607175 0.74 TSHR (0.52) TSHRNPC1RAB9AMMP8BACE1
SCHEMBL23419871 0.73 BACE1 (0.54) BACE1

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 5 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