SCHEMBL14036397

SCHEMBL14036397

CCCCOc1cc(Cl)c(Cl)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 1/20 0.45
ESR1 P03372 2/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
BACE1 P56817 1/20 0.40
RARB P10826 1/20 0.40
ATM Q13315 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL22138644 0.90 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1POLBGAANPSR1
SCHEMBL12161010 0.85 SMN1; SMN2 (0.41) SMN1; SMN2GLAESR1ALDH1A1POLB
SCHEMBL12434156 0.85 ESR1 (0.49) SMN1; SMN2GLAESR1ALDH1A1GAA
SCHEMBL12967934 0.83 GLA (0.51) SMN1; SMN2GLAALDH1A1NPSR1CYP1A2
SCHEMBL7799554 0.83 SMN1; SMN2 (0.54) SMN1; SMN2GLAESR1ALDH1A1POLB
SCHEMBL29582108 0.83 ESR1 (0.47) SMN1; SMN2GLAESR1ALDH1A1GAA
SCHEMBL17264198 0.81 ESR1 (0.46) SMN1; SMN2GLAESR1ALDH1A1GAA
SCHEMBL14015795 0.79 THRB (0.51) SMN1; SMN2GLAESR1ATMRAB9A
SCHEMBL11230722 0.79 ESR1 (0.42) SMN1; SMN2GLAESR1CYP1A2CYP2C9
SCHEMBL13475559 0.79 ESR1 (0.49) ESR1ALDH1A1GAANPSR1CYP1A2

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-2008141154-A2 NOVEL HERBICIDE RESISTANCE GENES DOW AGROSCIENCES LLC (US) 2008-11-20 WO disclosed