SCHEMBL11508035

SCHEMBL11508035

COc1ccc(OCC(CN(N)CC(COc2ccc(OC)cc2)OC(=O)Nc2ccccc2)OC(=O)Nc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ KLK7 P49862 4/20 0.45
▸ CYP19A1 P11511 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
SCHEMBL14537561 0.80 LMNA (0.51) LMNATP53SMN1; SMN2ALDH1A1GAA
SCHEMBL10014726 0.76 KMT2A (0.54) LMNATP53SMN1; SMN2ALDH1A1GAA
SCHEMBL11450859 0.75 GRM5 (0.46) LMNASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10014727 0.73 MEN1 (0.50) LMNATP53SMN1; SMN2ALDH1A1GAA
SCHEMBL1463244 0.71 NPSR1 (0.64) LMNATP53SMN1; SMN2ALDH1A1RAB9A
SCHEMBL22204354 0.70 ALDH1A1 (1.00) LMNATP53SMN1; SMN2ALDH1A1GAA
SCHEMBL17342578 0.69 LMNA (0.68) LMNATP53SMN1; SMN2ALDH1A1RAB9A
SCHEMBL11645656 0.68 LMNA (0.60) LMNATP53SMN1; SMN2ALDH1A1GAA
SCHEMBL11813314 0.67 TP53 (0.68) LMNATP53SMN1; SMN2ALDH1A1GAA
SCHEMBL9357891 0.67 RAB9A (1.00) TP53SMN1; SMN2ALDH1A1GAAHTT

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-4178382-A INSECTICIDE FOR COTTON UNIROYAL, INC. (US) 1979-12-11 — — US disclosed
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