SCHEMBL3762036

SCHEMBL3762036

Cc1cccc(C)c1OCc1cccc(COc2c(C)cccc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
SCN4A P35499 8/20 0.47
SCN8A Q9UQD0 3/20 0.47
LMNA P02545 2/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
NFKB1 P19838 2/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
KCNK3 O14649 1/20 0.47
CACNA1F O60840 1/20 0.47
KCNK2 O95069 1/20 0.47
GBA1 P04062 1/20 0.47

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
SCHEMBL18716386 0.87 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BSCN4A
SCHEMBL2557515 0.84 ENPP2 (0.56) HTR1AADRA1DADRA1AADRA1BSCN8A
SCHEMBL12440955 0.79 MAOB (0.56) MAOAMAOBIDO1
SCHEMBL3033403 0.78 MAOB (0.48) HTR1AADRA1DADRA1AADRA1BSCN4A
SCHEMBL14217836 0.78 ENPP2 (0.42) HTR1AADRA1DADRA1AADRA1BSCN8A
SCHEMBL29954831 0.77 LIPE (0.62) HTR1AADRA1DADRA1AADRA1BSCN4A
Formaldehyde SCHEMBL27798964 0.77 RAPGEF4 (0.39) HTR1AADRA1DADRA1AADRA1BSCN4A
SCHEMBL19612388 0.76 L3MBTL1 (0.67) HTR1AADRA1DADRA1AADRA1BSCN4A
SCHEMBL10269141 0.76 GRM5 (0.56) CYP3A4MAOAFFAR1MAOBMRGPRX4
SCHEMBL10287476 0.75 TSHR (0.43) SCN4ASCN8ALMNASCN1ASCN5A

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
US-8978553-B2 Heat-sensitive lithographic printing plates MITSUBISHI PAPER MILLS LIMITED (JP) 2015-03-17 US disclosed
US-20120192740-A1 FOUNTAIN SOLUTION COMPOSITION FOR LITHOGRAPHIC PRINTING PLATE AND LITHOGRAPHIC PRINTING METHOD MITSUBISHI PAPER MILLS LIMITED (JP) 2012-08-02 US disclosed
US-20100307359-A1 HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATES MITSUBISHI PAPER MILLS LIMITED (JP) 2010-12-09 US disclosed