SCHEMBL9808100

SCHEMBL9808100

Clc1cccc(OCCOc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.72
DRD4 P21917 1/20 0.72
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KCNH2 Q12809 1/20 0.56
KCNA3 P22001 1/20 0.54
FFAR1 O14842 1/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
WDR5 P61964 1/20 0.53
HRH3 Q9Y5N1 3/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL9808215 0.94 LMNA (0.67) DRD2DRD4LMNAMAPK1HTT
SCHEMBL6273430 0.88 DRD2 (0.62) DRD2DRD4LMNAMAPK1HTT
SCHEMBL8670094 0.84 KCNA3 (0.67) DRD2DRD4LMNAMAPK1KDM4E
SCHEMBL366495 0.84 HTT (0.57) DRD2DRD4LMNAMAPK1HTT
SCHEMBL366494 0.84 LMNA (0.57) DRD2DRD4LMNAMAPK1HTT
SCHEMBL3957187 0.83 LMNA (0.61) DRD2DRD4LMNAMAPK1HTT
SCHEMBL1685432 0.83 DRD2 (0.62) DRD2DRD4LMNAMAPK1HTT
Hydrochloric Acid SCHEMBL8060178 0.83 DRD4 (0.97) DRD2DRD4KMT2A
SCHEMBL9774806 0.82 DRD2 (0.60) DRD2DRD4LMNAMAPK1HTT
SCHEMBL1771007 0.82 LMNA (0.59) DRD2DRD4LMNAMAPK1HTT

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-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed