SCHEMBL11077874

SCHEMBL11077874

NC(=O)Cc1ccccc1C1CCCCCC1S

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 4/20 0.34
EPHX2 P34913 1/20 0.34
NOS1 P29475 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 1/20 0.33
NAAA Q02083 1/20 0.32
EPHX1 P07099 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL11079212 0.99 MEN1 (0.33) F2RL1EPHX2NOS1PTGDR2KMT2A
SCHEMBL11085607 0.96 NOS3 (0.33) F2RL1NOS1
SCHEMBL11079166 0.84 F2RL1 (0.35) F2RL1EPHX2NOS1PTGDR2KMT2A
SCHEMBL10833645 0.82 KDM1A (0.34) F2RL1EPHX2NOS1PTGDR2KMT2A
SCHEMBL11087918 0.82 MEN1 (0.34) F2RL1EPHX2NOS1PTGDR2KMT2A
SCHEMBL5049361 0.80 PTGDR2 (0.48) F2RL1EPHX2PTGDR2KMT2AMEN1
SCHEMBL5051928 0.80 PTGDR2 (0.48) F2RL1EPHX2PTGDR2KMT2AMEN1
SCHEMBL11083007 0.79 ALDH1A1 (0.34) F2RL1NOS1
SCHEMBL3979460 0.79 PTGDR2 (0.45) F2RL1EPHX2PTGDR2KMT2AMEN1
Hydrochloric Acid SCHEMBL5051903 0.77 PTGDR2 (0.44) F2RL1EPHX2PTGDR2KMT2AMEN1

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
US-4460600-A Adjacently substituted ketal derivatives of cycloalkane-amide analgesics THE UPJOHN COMPANY (US) 1984-07-17 US disclosed