SCHEMBL6571518

SCHEMBL6571518

CCC(Cl)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.52
TSHR P16473 1/20 0.46
SRD5A2 P31213 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPY5R Q15761 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41

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
SCHEMBL27569671 0.82 LTA4H (0.56) LTA4HTSHRLMNAHTT
SCHEMBL9493994 0.82 LTA4H (0.57) LTA4HTSHRSRD5A2NR1H2BAX
SCHEMBL212179 0.81 LMNA (0.52) TSHRLMNA
SCHEMBL13594208 0.81 LMNA (0.52) TSHRLMNA
Ammonia Solution, Strong SCHEMBL27973477 0.80 LTA4H (0.55) LTA4HTSHRSRD5A2NR1H2BAX
SCHEMBL18585352 0.79 LMNA (0.50) TSHRLMNA
SCHEMBL10162228 0.78 ALDH1A1 (0.54) LTA4HTSHRNR1H2BAXNPY5R
SCHEMBL5607146 0.78 TDP1 (0.42) TSHRLMNA
SCHEMBL7109235 0.78 ALDH1A1 (0.50) TSHR
SCHEMBL2997242 0.78 CHRNB2 (0.47) LMNA

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
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed