SCHEMBL3760159

SCHEMBL3760159

CCCCCCCCc1ccc(OCc2ccccc2COc2ccc(CCCCCCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SHBG P04278 1/20 0.53

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
SCHEMBL11051776 0.87 LTA4H (0.66) HRH3BCHELTA4HEPHX2MGLL
SCHEMBL6284506 0.87 LTA4H (0.66) HRH3BCHELTA4HEPHX2MGLL
SCHEMBL6283332 0.85 LTA4H (0.68) HRH3BCHELTA4HEPHX2MGLL
SCHEMBL2291397 0.83 FFAR4 (0.62) HRH3BCHEMAOBLTA4HEPHX2
SCHEMBL9215261 0.82 ALDH1A1 (0.73) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL3762431 0.82 SMPD1 (0.55) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL10339674 0.81 HRH3 (0.61) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL21125157 0.81 ALDH1A1 (0.63) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL4059201 0.81 LTA4H (0.62) HRH3BCHELTA4HEPHX2MGLL
SCHEMBL9357898 0.80 ALDH1A1 (0.71) ALDH1A1LMNACYP3A4MEN1USP2

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