SCHEMBL11550992

SCHEMBL11550992

COc1ccc(CC(Cl)CCC(=O)CCC(Cl)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
F2RL1 P55085 1/20 0.50
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
FPR2 P25090 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ACACB O00763 1/20 0.43
POLB P06746 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
SCHEMBL6461540 0.79 LDHA (0.62) LDHASLC6A4PPARGPPARAFFAR1
SCHEMBL8900813 0.77 LDHA (0.56) LDHAF2RL1SLC6A4HTTFPR2
SCHEMBL7517694 0.75 LDHA (0.71) LDHASLC6A4PPARGPPARAFFAR1
SCHEMBL7517684 0.75 LDHA (0.71) LDHASLC6A4PPARGPPARAFFAR1
SCHEMBL15312744 0.75 LDHA (0.71) LDHASLC6A4PPARGPPARAFFAR1
SCHEMBL28495195 0.75 LDHA (0.61) LDHAF2RL1SLC6A4ALDH1A1PPARG
SCHEMBL6688761 0.74 LDHA (0.76) LDHAF2RL1SLC6A4ALDH1A1PPARG
SCHEMBL5672844 0.73 LDHA (0.59) LDHAF2RL1SLC6A4ALDH1A1PPARG
SCHEMBL7329940 0.73 F2RL1 (0.85) F2RL1ALDH1A1FFAR1POLB
SCHEMBL24799947 0.73 F2RL1 (0.66) LDHAF2RL1ALDH1A1FFAR1HTT

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-4171378-A INSECTICIDES, VIRICIDES STERLING DRUG INC. (US) 1979-10-16 US disclosed