SCHEMBL11620118

SCHEMBL11620118

CCN(CC)C(=O)C(C)(C)n1cc(C)c(-c2ccccc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.39
GPBAR1 Q8TDU6 9/20 0.38
GHSR Q92847 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 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
SCHEMBL11616037 0.87 TSPO (0.36) TSPOGPBAR1GHSRNPC1HPGD
SCHEMBL11622693 0.86 GPBAR1 (0.40) TSPOGPBAR1HSD17B10KMT2A
SCHEMBL11622045 0.83 LMNA (0.44) NPC1HPGDRAB9AHSD17B10KMT2A
SCHEMBL11622443 0.79 GPBAR1 (0.39) TSPOGPBAR1HSD17B10KMT2A
SCHEMBL11622654 0.79 KMT2A (0.40) GPBAR1NPC1HPGDRAB9AL3MBTL1
SCHEMBL11617425 0.78 GPBAR1 (0.37) GPBAR1HSD17B10KMT2A
SCHEMBL11622099 0.77 GPBAR1 (0.39) TSPOGPBAR1NPC1HPGDRAB9A
SCHEMBL11623221 0.76 CDC7 (0.42) NPC1HPGDL3MBTL1HSD17B10KMT2A
SCHEMBL11620009 0.76 CNR1 (0.39) TSPOGPBAR1GHSRKMT2A
SCHEMBL11624495 0.76 KMT2A (0.39) GPBAR1NPC1HPGDRAB9AL3MBTL1

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-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 US claimed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 US disclosed