SCHEMBL9500848

SCHEMBL9500848

CCCCC(CCC)c1cc(C)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CHRM1 P11229 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
ADRA1A P35348 2/20 0.40
ESR1 P03372 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40
HRH1 P35367 2/20 0.40
CHRM4 P08173 1/20 0.40
KCNE1 P15382 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
OPRK1 P41145 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
SCHEMBL7755498 0.95 PDE5A (0.42) KMT2AHTTGAANPSR1CHRM1
SCHEMBL9502127 0.85 PDE5A (0.42) KMT2AHTTGAANPSR1CHRM1
SCHEMBL9846238 0.84 PDE5A (0.41) KMT2AHTTGAANPSR1CHRM1
SCHEMBL4093891 0.82 PDE5A (0.43) KMT2AHTTGAANPSR1LMNA
SCHEMBL6447799 0.82 HTT (0.35) KMT2AHTTNPSR1LMNAMAPT
SCHEMBL11775212 0.81 SRC (0.45) KMT2AHTTGAANPSR1CHRM1
SCHEMBL11038944 0.81 TYR (0.46) KMT2AHTTGAANPSR1CHRM1
SCHEMBL28530459 0.80 TYR (0.44) KMT2AHTTCHRM1LMNAMAPT
SCHEMBL51005 0.79 CHRM1 (0.51) KMT2AHTTGAANPSR1CHRM1
SCHEMBL11036500 0.78 TYR (0.45) KMT2AHTTCHRM1LMNAMAPT

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 3 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