SCHEMBL10616596

SCHEMBL10616596

Cc1cc(O)c(C(C)C)cc1OS(=O)Oc1cc(C(C)C)c(O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
PKM P14618 3/20 0.42
TRPA1 O75762 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 6/20 0.38
GAA P10253 6/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALOX15 P16050 3/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2D6 P10635 3/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 6/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP3A4 P08684 3/20 0.37

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
SCHEMBL10616603 0.88 LMNA (0.47) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL8999616 0.80 LMNA (0.57) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL1494397 0.78 LMNA (0.55) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL16736804 0.77 LMNA (0.53) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL28323422 0.77 LMNA (0.53) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL27834464 0.76 CYP1A2 (0.56) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL28228776 0.75 LMNA (0.52) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL27508306 0.75 LMNA (0.47) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL16736742 0.74 LMNA (0.55) LMNAPKMTRPA1CHRM1SLC6A2
SCHEMBL29872559 0.72 LMNA (0.68) LMNAPKMTRPA1CHRM1SLC6A2

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
JP-63027470-A None JP disclosed
JP-S6327470-A 4-(2-(DIMETHYLAMINO)ETHOXY)-3-ISOPROPYL-6-METHYLPHENYL SULFATE KOHJIN CO LTD 1988-02-05 JP disclosed