SCHEMBL9701288

SCHEMBL9701288

CCOC(=O)C(c1nc(OC)cc(OC)n1)C(C)(O)CS

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EDNRB P24530 4/20 0.36
EDNRA P25101 4/20 0.36
AR P10275 2/20 0.34
CYP1A2 P05177 1/20 0.34
LMNA P02545 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
SCHEMBL8975749 0.73 ALDH1A1 (0.42) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL8873130 0.72 ALDH1A1 (0.41) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9019944 0.71 ALDH1A1 (0.40) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9082340 0.70 ADORA3 (0.40) POLBALDH1A1KDM4EMAPTEDNRB
SCHEMBL9701160 0.70 EDNRB (0.36) POLBALDH1A1KDM4EMAPTEDNRB
SCHEMBL9902864 0.70 SMN1; SMN2 (0.48) POLBALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL8943560 0.69 ALDH1A1 (0.41) POLBALDH1A1KDM4EMAPTEDNRB
SCHEMBL9297450 0.69 CYP1A2 (0.33) POLBALDH1A1KDM4EEDNRBEDNRA
SCHEMBL9878688 0.68 EDNRB (0.44) POLBALDH1A1SMN1; SMN2EDNRBEDNRA
SCHEMBL9573157 0.66 GAA (0.53) POLBALDH1A1KDM4EMAPTCYP1A2

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-0517215-A1 Pyrimidine or triazine derivative, process for preparing the same and herbicide using the same UBE INDUSTRIES, LTD. (JP) 1992-12-09 EP disclosed