SCHEMBL11290575

SCHEMBL11290575

CCC1CCCCCC1C(=O)NC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
CTSK P43235 6/20 0.36
MMP9 P14780 2/20 0.35
ADAM17 P78536 1/20 0.35
NAAA Q02083 1/20 0.35
EPHX1 P07099 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL29315212 0.98 GRM4 (0.42) GRM4CTSKMMP9ADAM17CTSL
SCHEMBL29315213 0.83 CA1 (0.47) GRM4CTSKNAAAEPHX1CTSL
SCHEMBL11397821 0.81 CTSK (0.44) CTSKEPHX1CTSLCTSB
SCHEMBL7066347 0.81 GRM4 (0.41) GRM4CTSKMMP9ADAM17EPHX1
SCHEMBL29315215 0.80 BCHE (0.39) GRM4CTSKNAAAEPHX1
SCHEMBL24754202 0.79
SCHEMBL5909473 0.79 GRM4 (0.56) GRM4CTSKEPHX1ALDH1A1CTSB
SCHEMBL20979462 0.77 GRM4 (0.38) GRM4CTSKMMP9ADAM17CTSL
SCHEMBL10169316 0.77 GRM4 (0.39) GRM4CTSKEPHX1CTSLCTSB
SCHEMBL30606190 0.77 GRM4 (0.39) GRM4CTSKMMP9ADAM17EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4318900-A STIMULANTS WILKINSON SWORD LIMITED (GB) 1982-03-09 US disclosed
US-4248859-A USED IN EDIBLE AND TOPICAL PREPARATIONS WILKINSON SWORD LIMITED (GB) 1981-02-03 US disclosed