SCHEMBL4751572

SCHEMBL4751572

[CH2]CC1CCC2CCCC12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL1287684 0.90 CYP1A2 (0.41) CYP1A2CYP2D6
SCHEMBL4753749 0.75
SCHEMBL11114570 0.75 CYP1A2 (0.41) CYP1A2CYP2D6
SCHEMBL27736699 0.74
SCHEMBL20695818 0.71 CYP1A2 (0.39) CYP1A2CYP2D6
SCHEMBL6682956 0.71 ALDH1A1 (0.43)
SCHEMBL26719770 0.70 ALDH1A1 (0.33) CYP1A2CYP2D6
SCHEMBL15556534 0.69
SCHEMBL24490722 0.68 CYP1A2 (0.33) CYP1A2CYP2D6
SCHEMBL6383024 0.68 ALDH1A1 (0.40)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008149962-A1 THIOIMIDATE COMPOUND AND USE THEREOF FOR CONTROLLING PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-11 WO disclosed
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed