SCHEMBL7958780

SCHEMBL7958780

Clc1cncc([CH]c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
GSTP1 P09211 2/20 0.48
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PPARG P37231 1/20 0.44
AMY1A P0DUB6 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44

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
SCHEMBL8491445 0.80 RELA (0.42) GAALMNAMAOBPOLBMAPT
SCHEMBL7057444 0.79 CHRNB2 (0.49) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL8436212 0.79 CYP11B2 (0.39) MAOBMAPT
SCHEMBL7975159 0.75 AHR (0.53) ALOX5KDM4EALDH1A1TSHRLMNA
SCHEMBL7263712 0.72 LCK (0.60) LCKGSTP1ALDH1A1PPARGGAA
SCHEMBL197223 0.72 LMNA (0.67) ALOX5GAALMNACYP1A2PTGS1
SCHEMBL7968100 0.71 PIP4K2A (0.40) KDM4EL3MBTL1RAB9A
SCHEMBL7958255 0.71 NPC1 (0.40) ALDH1A1POLBMAPTL3MBTL1RAB9A
SCHEMBL7974937 0.71 LCK (0.49) LCKGSTP1ALOX5KDM4EALDH1A1
SCHEMBL7972130 0.70 ALOX5 (0.44) ALOX5ALDH1A1LMNAPTGS1PTGS2

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
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed