SCHEMBL3390167

SCHEMBL3390167

CC(CCNC(=O)O)c1cccc(SCC2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.37
CTSL P07711 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
NPC1 O15118 1/20 0.36
CTSB P07858 1/20 0.36
AGTR2 P50052 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL1710752 0.88 BCHE (0.38) CTSKAGTR2
SCHEMBL3386798 0.86 EPHX1 (0.39) CTSKOPRK1OPRD1CYP3A4
SCHEMBL1710885 0.82 BCHE (0.37) CTSKCTSL
SCHEMBL13459310 0.80 AR (0.36) CTSKCYP3A4CYP2C19
SCHEMBL3386807 0.79 MTNR1A (0.42) CTSKCTSLOPRK1OPRD1MTNR1A
SCHEMBL27996251 0.78 GPR88 (0.46) MTNR1AMTNR1B
SCHEMBL1724178 0.78 ROCK2 (0.35) CTSKAGTR2
SCHEMBL16031201 0.77 GCK (0.36) RAB9ANPC1AGTR2
SCHEMBL16031904 0.77 AGTR2 (0.35) CTSKCTSLAGTR2MTNR1AMTNR1B
SCHEMBL16031844 0.76 HPGD (0.34) CTSKCTSLCYP3A4HPGDCYP2C19

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-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed