SCHEMBL7989353

SCHEMBL7989353

CC(C)(C)c1cc(OCc2ccccc2)ccc1C(O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MAOB P27338 8/20 0.44
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ NR4A2 P43354 2/20 0.40
▸ NR4A1 P22736 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
SCHEMBL7975233 0.86 ALOX5 (0.47) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL13021506 0.79 MAOB (0.56) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL24448850 0.76 ALOX5 (0.51) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL21617280 0.76 MAOB (0.53) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL10390637 0.73 CYP1A2 (0.44) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL27922861 0.73 CYP1A2 (0.55) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL17481249 0.73 ALOX5 (0.51) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL6825691 0.72 MAOB (0.52) ALOX5MAOB
SCHEMBL11974257 0.71 MAOB (0.57) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL6405256 0.71 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 — — US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 — — EP disclosed
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