SCHEMBL13636282

SCHEMBL13636282

COC(c1ccc(Cl)cc1Cl)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CYP19A1 P11511 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3123826 0.85 TP53 (0.67) TP53LMNAHTTIDO1TDO2
SCHEMBL672374 0.85 TP53 (0.67) TP53LMNAHTTIDO1TDO2
SCHEMBL3126342 0.85 TP53 (0.67) TP53LMNAHTTIDO1TDO2
SCHEMBL3122491 0.85 TP53 (0.67) TP53LMNAHTTIDO1TDO2
SCHEMBL3114962 0.85 TP53 (0.67) TP53LMNAHTTIDO1TDO2
SCHEMBL23347771 0.79 TP53 (0.44) TP53LMNAHTTIDO1TDO2
SCHEMBL2367335 0.79 LMNA (0.45) TP53LMNAHTTIDO1TDO2
SCHEMBL23347575 0.78 LMNA (0.49) TP53LMNAHTTIDO1TDO2
SCHEMBL16212082 0.78 TP53 (0.55) TP53LMNAHTTIDO1TDO2
SCHEMBL17120931 0.78 LMNA (0.43) TP53LMNAHTTIDO1TDO2

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-8304444-B2 Pyrazole carboxylic acid amides useful as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2012-11-06 US disclosed