SCHEMBL11224840

SCHEMBL11224840

CCCCCCCCCCCC(=O)OC(C)(C)C(=O)Nc1ccc(C#N)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.42
AR P10275 3/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
S1PR1 P21453 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
SCHEMBL11226270 1.00 ALDH1A1 (0.43) ALDH1A1HPGDARABCC9ABCC8
SCHEMBL8518923 0.80 ALDH1A1 (0.55) ALDH1A1ARABCC9ABCC8KCNJ11
SCHEMBL7738811 0.78 NPC1 (0.58) ALDH1A1HPGD
SCHEMBL9760688 0.72 ALDH1A1 (0.50) ALDH1A1
SCHEMBL11658598 0.72 ALDH1A1 (0.50) ALDH1A1
SCHEMBL8519769 0.72 ALDH1A1 (0.54) ALDH1A1ARABCC9ABCC8KCNJ11
SCHEMBL10974445 0.71 ALDH1A1 (0.50) ALDH1A1ARABCC9ABCC8KCNJ11
SCHEMBL14087515 0.70 ALDH1A1 (0.55) ALDH1A1AR
SCHEMBL10898040 0.68 HPGD (0.47) ALDH1A1HPGD
SCHEMBL7515733 0.68 ABCC9 (0.68) ABCC9ABCC8KCNJ11KCNJ8

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-0002309-B1 ACYLANILIDES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL AND VETERINARY COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed