SCHEMBL11566347

SCHEMBL11566347

CCCOC(C)(CSc1ccc(OC(=O)NC2CCCC2)cc1)OCCC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
FAAH O00519 2/20 0.46
EPHX1 P07099 1/20 0.46
LHCGR P22888 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL11563206 0.94 RAB9A (0.49) ALDH1A1RAB9AFAAHEPHX1
SCHEMBL11568233 0.92 ALDH1A1 (0.47) ALDH1A1RAB9AFAAHEPHX1
SCHEMBL11562134 0.84 RAB9A (0.49) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL11566569 0.75 ALDH1A1 (0.41) ALDH1A1RAB9AFAAHEPHX1
SCHEMBL18294041 0.72 ALDH1A1 (0.66) ALDH1A1RAB9AFAAHEPHX1
SCHEMBL5115600 0.70 ALDH1A1 (0.97) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL1690730 0.70 RAB9A (0.71) ALDH1A1RAB9AFAAHEPHX1HPGD
SCHEMBL8393776 0.69 ALDH1A1 (1.00) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL21618461 0.69 ALDH1A1 (1.00) ALDH1A1RAB9AFAAHEPHX1LHCGR
SCHEMBL8074322 0.69 ALDH1A1 (0.76) ALDH1A1RAB9AFAAHEPHX1LHCGR

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-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US disclosed