SCHEMBL6827638

SCHEMBL6827638

CC(CNC(=O)Nc1ccccc1Cl)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
ANPEP P15144 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CASR P41180 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 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
SCHEMBL6825499 0.98 TAS1R3 (0.44) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6825381 0.89 TRPV1 (0.40) RAB9AALDH1A1
SCHEMBL6825333 0.89 RAB9A (0.41) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL6825678 0.89 TAS1R3 (0.42) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6824635 0.89 LMNA (0.48) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL6825616 0.88 LMNA (0.41) RAB9AALDH1A1
SCHEMBL6825512 0.88 RAB9A (0.43) NPC1RAB9AALDH1A1
SCHEMBL6822365 0.88 TDP1 (0.44) TAS1R3TAS1R1ANPEPALDH1A1
SCHEMBL6822383 0.88 LMNA (0.41) RAB9AALDH1A1
SCHEMBL6827787 0.88 RAB9A (0.43) NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed