SCHEMBL11436576

SCHEMBL11436576

O=C(Sc1ccc2ccccc2c1)N(CC(Cl)CCl)CC(Cl)CCl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ BACE1 P56817 5/20 0.33
▸ LMNA P02545 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ PTPN1 P18031 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
SCHEMBL11450855 0.80 TERT (0.40) ALDH1A1TP53
SCHEMBL11450853 0.74 FAAH (0.41) EPHX1LMNA
SCHEMBL11770708 0.74 TP53 (0.49) ANPEPEPHX1ALDH1A1LMNATP53
SCHEMBL11332669 0.71 ALDH1A1 (0.50) ANPEPEPHX1ALDH1A1CES2CES1
SCHEMBL11443012 0.70 TP53 (0.36) ALDH1A1LMNATP53
SCHEMBL11761812 0.70 F2 (0.42) EPHX1ALDH1A1LMNA
SCHEMBL11764786 0.69 ALDH1A1 (0.43) ANPEPEPHX1ALDH1A1CES2CES1
SCHEMBL1403189 0.68 ANPEP (0.47) ANPEPEPHX1ALDH1A1LMNASTAT3
SCHEMBL11764839 0.67 HDAC3 (0.41) ANPEPEPHX1ALDH1A1
SCHEMBL11763367 0.67 EPHX1 (0.42) ANPEPEPHX1ALDH1A1

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-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 — — US disclosed
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