SCHEMBL9714428

SCHEMBL9714428

CCCCCOC(OCCCCC)C(Cl)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LPAR1 Q92633 4/20 0.33
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 1/20 0.33
USP2 O75604 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9714381 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL9714467 0.98 DNM1 (0.47) DNM1ALDH1A1LPAR1LPAR3LPAR2
SCHEMBL9714688 0.93 ADRB2 (0.36) DNM1ALDH1A1CA1CA2TSHR
SCHEMBL9714468 0.82 DNM1 (0.32) DNM1
SCHEMBL18177243 0.76 DNM1 (0.48) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL26564569 0.76 DNM1 (0.48) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL26564568 0.76 DNM1 (0.48) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL26564609 0.76 DNM1 (0.48) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL28327026 0.76 DNM1 (0.44) DNM1LPAR1LPAR3LPAR2USP2
SCHEMBL11599959 0.74 DNM1 (0.33) DNM1TSHR

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