SCHEMBL7893403

SCHEMBL7893403

CC(C)c1ccc(O)c(-c2cc(O)ccc2S(=O)(=O)c2ccc(O)cc2-c2cc(C(C)C)ccc2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.42
PTGS1 P23219 2/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
PKM P14618 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
DNMT1 P26358 1/20 0.40
MCL1 Q07820 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TYR P14679 2/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL3163234 0.81 MEN1 (0.42) MCL1TYRMAOAMAOBESR1
SCHEMBL11651790 0.78 TRPA1 (0.64) RNASEH1PTGS1TRPA1CACNA1CGAA
SCHEMBL7198840 0.77 ALDH1A1 (0.46) PTGS1GAAALDH1A1HTTPKM
SCHEMBL9297446 0.77 RNASEH1 (0.53) RNASEH1PTGS1TRPA1CACNA1CGAA
SCHEMBL726334 0.74 POLB (0.47) PTGS1GAAALDH1A1ALPLALPI
SCHEMBL2862404 0.74 MCL1 (0.54) PTGS1GAAALDH1A1PKMALPL
SCHEMBL2858066 0.73 GAA (0.43) PTGS1GAAALDH1A1HTTHIF1A
SCHEMBL7893400 0.72 LMNA (0.46) PTGS1GAAALDH1A1HTTHIF1A
SCHEMBL7774118 0.72 POLB (0.55) RNASEH1PTGS1TRPA1CACNA1CGAA
SCHEMBL2867893 0.70 LMNA (0.41) PTGS1GAAALDH1A1HIF1APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6184300-B1 USEFUL AS HEAT-INSULATING MATERIAL, ORGANIC PIGMENT, OR OPACIFYING AGENT, AND AS HEAT-INSULATING INTERLAYER TO BE FORMED IN THERMAL RECORDING MATERIAL NIPPON ZEON CO., LTD. (JP) 2001-02-06 US disclosed
EP-0391434-A1 Thermosensitive recording sheet JUJO PAPER CO., LTD. (JP) 1990-10-10 EP disclosed