SCHEMBL9502127

SCHEMBL9502127

CCCCCC(CC)c1cc(C)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA1A P35348 2/20 0.40
ESR1 P03372 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
MAPT P10636 1/20 0.40
KCNE1 P15382 1/20 0.40
CHRM3 P20309 1/20 0.40
PTGS1 P23219 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL9846238 0.98 PDE5A (0.41) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL7755498 0.90 PDE5A (0.42) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL9500848 0.85 KMT2A (0.43) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL4093891 0.84 PDE5A (0.43) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL10479352 0.82 CHRM2 (0.47) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL9437957 0.82 CHRM2 (0.47) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL9768521 0.82 PDE5A (0.52) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL23406316 0.81 SRC (0.43) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL7684623 0.81 SRC (0.43) PDE5AGAAHTTKMT2ANPSR1
SCHEMBL9500852 0.81 SRC (0.43) PDE5AGAAHTTKMT2ANPSR1

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
EP-0318941-B1 DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-09 EP disclosed
US-5118443-A DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1992-06-02 US disclosed
EP-0318941-A2 Developer for pressure-sensitive recording sheets, aqueous dispersion of the developer and method for preparing the developer Sanko Kaihatsu Kagaku Kenkyusho (JP) 1989-06-07 EP disclosed
US-3949024-A POLYMERIC STABILIZERS STEPAN CHEMICAL COMPANY (US) 1976-04-06 US disclosed