SCHEMBL9714692

SCHEMBL9714692

CCCCCCCCCCCCOC(OCCCCCCCCCCCC)C(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.48
THRB P10828 2/20 0.38
TSHR P16473 2/20 0.38
LPAR1 Q92633 5/20 0.37
LPAR3 Q9UBY5 5/20 0.37
LPAR2 Q9HBW0 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9714750 1.00 DNM1 (0.48) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL7591315 0.82 DNM1 (0.52) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL11533725 0.80 DNM1 (0.52) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL568430 0.80 DNM1 (0.52) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL9714708 0.79
SCHEMBL1734653 0.78 DNM1 (0.50) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL11788485 0.78 DNM1 (0.50) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL7791336 0.78 DNM1 (0.50) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL11691580 0.78 DNM1 (0.50) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL8843029 0.78 DNM1 (0.50) DNM1THRBTSHRLPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116402-A HERBICIDAL COMPOSITION CONTAINING DIOXOLANE, DIOXANE, OR DIOXEPANE DERIVATIVES AS ANTIDOTE MAGYAR TUDOMANVOS AKADEMIA KOZPONTI KEMIAI KUTATO INTEZETE NITROKEMIA INARTELENEK FUZFOGYARTELEP (HU) 1992-05-26 US disclosed
EP-0054278-B1 PLANT PROTECTING AGENTS FOR USE DURING WEED CONTROL, 2-(DICHLOROMETHYL)-3-PHENYL-1,3-OXAZOLIDINE AND 2-(DICHLOROMETHYL)-3-ALLYL-1,3-OXAZOLIDINE, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS COMPRISED IN SAID AGENTS AS ANTIDOTES, OR OF THE LATTER MENTIONED COMPOUNDS MAGYAR TUDOMANYOS AKADEMIA KÖZP KEMIAI KUTATO INTEZET (HU) 1987-04-01 EP disclosed
EP-0054278-A1 Plant protecting agents for use during weed control, 2-(dichloromethyl)-3-phenyl-1,3-oxazolidine and 2-(dichloromethyl)-3-allyl-1,3-oxazolidine, and method for the preparation of the compounds comprised in said agents as antidotes, or of the latter mentioned compounds MAGYAR TUDOMANYOS AKADEMIA KÖZP KEMIAI KUTATO INTEZET (HU) 1982-06-23 EP disclosed