SCHEMBL3857508

SCHEMBL3857508

N#C[C@@H](/C=C(/Cl)C(F)(F)F)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS1 P23219 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
AKR1C3 P42330 1/20 0.37
CCR1 P32246 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
CETP P11597 2/20 0.35
AR P10275 1/20 0.34
ATM Q13315 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
EGLN1 Q9GZT9 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL1101149 0.76 PTGS1 (0.49) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL10866556 0.74 PTGS1 (0.43) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11259635 0.74 TLR4 (0.48) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL11544353 0.74 PTGS1 (0.50) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL16572623 0.74 ALDH1A1 (0.51) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL17849498 0.74 ALDH1A1 (0.51) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL3844494 0.74 TDP1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL3844497 0.74 TDP1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL27463564 0.74 TDP1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL27463562 0.74 TDP1 (0.53) ALDH1A1TDP1PTGS1MEN1CYP2D6

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-2087791-A2 Insecticidal mixture containing gamma-cyhalothrin Syngenta Limited (GB) 2009-08-12 EP disclosed