SCHEMBL9839146

SCHEMBL9839146

Oc1ccc(SOCc2cccc(COSc3ccc(O)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABAT P80404 1/20 0.35
ENPP2 Q13822 1/20 0.35
MMP3 P08254 1/20 0.35
MEN1 O00255 2/20 0.34
ESR1 P03372 2/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL14366901 0.73 TSHR (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5633862 0.69 LMNA (0.73) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7523445 0.68 NR1H2 (0.41) NR1H2LMNACYP1A2PTGS1SLC6A2
SCHEMBL583468 0.67 NR1H2 (0.55) NR1H2LMNAHIF1AMEN1ESR1
SCHEMBL2977565 0.66 ESR1 (0.70) ABATENPP2ESR1FNTAFNTB
SCHEMBL2904570 0.65 LMNA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4070672 0.64 LMNA (0.77) NR1H2LMNACYP1A2SLC6A2CYP2C19
SCHEMBL537145 0.64 LMNA (0.45) NR1H2LMNAHDAC6KDM4EALDH1A1
SCHEMBL27458843 0.64 LMNA (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2303871 0.63 NR1H2 (0.50) NR1H2LMNASLC6A2SLC6A3HIF1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5024699-A Colorfast images; absorption in near-infrared RICOH COMPANY, LTD. (JP) 1991-06-18 US disclosed
US-4981970-A LEUCO DYES, RECORDING RICOH COMPANY, LTD. (JP) 1991-01-01 US disclosed
US-4940691-A Coloring phthalide compounds and recording materials using the compounds as coloring component RICOH COMPANY, LTD. (JP) 1990-07-10 US disclosed
US-4925828-A STABILITY; INFRARED ABSORBANCE RICOH COMPANY, LTD. (JP) 1990-05-15 US disclosed
US-4880762-A OPTICAL RECORDING MEDIA RICOH COMPANY, LTD. (JP) 1989-11-14 US disclosed