SCHEMBL11235682

SCHEMBL11235682

CC(C)OCC(O)CNCC(C)(C)N

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.40
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL11221533 0.76 KDM4E (0.41) CASRKDM4ESMN1; SMN2
SCHEMBL20652628 0.75 KDM4E (0.65) CASRKDM4ESMN1; SMN2
SCHEMBL6167791 0.74 CYP1A2 (0.35)
SCHEMBL11231657 0.74 ALDH1A1 (0.41) CASRKDM4ESMN1; SMN2
SCHEMBL11236850 0.71 CASR (0.54) CASR
SCHEMBL22509563 0.70 ALOX15 (0.42) CASRKDM4ESMN1; SMN2
SCHEMBL20028402 0.70 ALOX15 (0.42) CASRKDM4ESMN1; SMN2
SCHEMBL14660965 0.69 CASR (0.48) CASR
SCHEMBL18052391 0.69 KDM4E (0.38) CASRKDM4ESMN1; SMN2
SCHEMBL18027695 0.69 KDM4E (0.38) CASRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed