SCHEMBL9714382

SCHEMBL9714382

ClC(Cl)C1(c2ccccc2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
HTR1A P08908 3/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA1D P25100 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
ICMT O60725 1/20 0.30
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30

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
SCHEMBL28013476 0.83 ALDH1A1 (0.38) TSHRHTR1AMAPK1SMN1; SMN2L3MBTL1
SCHEMBL14778433 0.78 CYP2D6 (0.37) TSHRHTR1AMAPK1SMN1; SMN2L3MBTL1
SCHEMBL28012898 0.76 ALDH1A1 (0.40) TSHRHTR1AMAPK1SMN1; SMN2CYP1A2
SCHEMBL9341766 0.75 CYP1A2 (0.39) TSHRHTR1AMAPK1SMN1; SMN2CYP1A2
SCHEMBL3895160 0.75 CYP2D6 (0.35) TSHRHTR1AMAPK1SMN1; SMN2L3MBTL1
SCHEMBL11779255 0.75 CYP2D6 (0.39) HTR1ACYP1A2CHRM2CHRM4CHRM1
SCHEMBL747286 0.74 OPRL1 (0.35) TSHRMAPK1L3MBTL1CYP1A2HDAC1
SCHEMBL18121625 0.72 TSHR (0.36) TSHRHTR1AMAPK1SMN1; SMN2L3MBTL1
SCHEMBL14779118 0.71 ALDH1A1 (0.38) SMN1; SMN2CYP1A2CHRM2CHRM4CHRM1
SCHEMBL14778293 0.71 ALDH1A1 (0.38) MAPK1SMN1; SMN2CYP1A2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1197601-A Herbicidal compositions and the use thereof NITROKEMIA RT (HU) 1998-11-04 CN disclosed
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