SCHEMBL14600652

SCHEMBL14600652

CC(C)c1ccc(OCOP(=O)(O)O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PDK2 Q15119 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
NLRP1 Q9C000 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
SCHEMBL14600646 0.83 FFAR1 (0.41) BCHEACHES1PR1S1PR3KMT2A
SCHEMBL11951613 0.75 ALDH1A1 (0.48) SMN1; SMN2PPARGPPARAPDK2BCHE
SCHEMBL10717259 0.75 TDP1 (0.64) SMN1; SMN2BCHEACHEMEN1TSHR
SCHEMBL9918359 0.74 BCHE (0.68) SMN1; SMN2PDK2BCHEACHEMEN1
SCHEMBL12180464 0.74 S1PR4 (0.44) SMN1; SMN2PPARGPPARAMEN1KMT2A
SCHEMBL13499053 0.73 LMNA (0.47) SMN1; SMN2PPARGPPARAPDK2ACHE
SCHEMBL12356908 0.72 CSNK2A1 (0.57) SMN1; SMN2PPARGPPARAPDK2MEN1
SCHEMBL17811829 0.72 PDK2 (0.43) SMN1; SMN2PPARGPPARAPDK2ACHE
SCHEMBL20231597 0.70 PPARG (0.49) SMN1; SMN2PPARGPPARATSHRLMNA
SCHEMBL9918364 0.70 LMNA (0.51) PPARGPPARAPDK2TSHRKMT2A

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-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed