SCHEMBL17578917

SCHEMBL17578917

C[CH]C(OCC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.39
POLB P06746 1/20 0.38
HTT P42858 2/20 0.37
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
MIF P14174 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 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
SCHEMBL8990318 0.82 L3MBTL1 (0.43) L3MBTL1LMNAPOLBHTTSCN1A
SCHEMBL11434362 0.82 CASR (0.40) L3MBTL1LMNAPOLBHTTSCN1A
SCHEMBL28444789 0.81 MEN1 (0.47) L3MBTL1HTR2ACYP1A2CYP2D6TSHR
SCHEMBL22394293 0.76 CHRNA7 (0.39) L3MBTL1
SCHEMBL22394310 0.76 CHRNA7 (0.39) L3MBTL1
SCHEMBL22394297 0.76 KMT2A (0.39) LMNAHTR2AHRH1MIFTSHR
SCHEMBL6972092 0.74 L3MBTL1 (0.42) L3MBTL1LMNAPOLBHTTSCN1A
SCHEMBL11830699 0.73 AKR1C3 (0.41) L3MBTL1LMNAPOLBTSHRMAPT
SCHEMBL27491659 0.73 L3MBTL1 (0.39) L3MBTL1LMNACYP1A2SLC6A2SLC6A4
SCHEMBL3992907 0.73 SCN1A (0.55) L3MBTL1LMNAPOLBHTTSCN1A

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-2994451-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2016-03-16 EP disclosed