SCHEMBL16638878

SCHEMBL16638878

OCCCc1ccc2cc(OCl)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
ALOX5 P09917 2/20 0.43
PTGES O14684 1/20 0.43
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 1/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38

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
SCHEMBL9670577 0.84 CYP1A2 (0.50) LTA4HEPHX2ALOX5PTGESCYP1A2
SCHEMBL9538995 0.82 CYP1A2 (0.61) ALOX5PTGESCYP1A2KDM4ENPC1
SCHEMBL16414559 0.78 IGF1R (0.46) LTA4HEPHX2ALOX5PTGESCYP1A2
SCHEMBL15802596 0.77 CYP1A2 (0.59) ALOX5PTGESCYP1A2KDM4ENPC1
SCHEMBL81147 0.77 CYP1A2 (0.62) LTA4HEPHX2CYP1A2SIGMAR1HDAC1
SCHEMBL31265269 0.77 CYP1A2 (0.62) LTA4HEPHX2CYP1A2SIGMAR1HDAC1
SCHEMBL16170703 0.74 CYP2A6 (0.50) LTA4HEPHX2ALOX5PTGESCYP1A2
SCHEMBL5855257 0.74 CYP2A6 (0.43) LTA4HEPHX2ALOX5PTGESCYP1A2
SCHEMBL9716439 0.74 CYP3A4 (0.50) KDM4ELMNATP53CYP3A4SLC6A2
SCHEMBL16414413 0.74 SLC6A2 (0.47) LTA4HEPHX2ALOX5PTGESCYP1A2

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
EP-2860169-A2 Method for obtaining novel derivatives of naphtalene for the in vivo diagnosis of Alzheimer's disease Centro De Neurociencias De Cuba (CU) 2015-04-15 EP disclosed