SCHEMBL7989351

SCHEMBL7989351

CC(C)(C)C(O)(c1ccc(OCc2ccccc2)cc1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAOB P27338 4/20 0.53
NR4A2 P43354 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
RXRA P19793 1/20 0.51

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
SCHEMBL3977512 0.87 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4602365 0.86 LMNA (0.61) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17024339 0.83 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10013799 0.82 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16016779 0.82 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL419050 0.82 APP (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1681364 0.81 SMN1; SMN2 (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6065347 0.81 MAOB (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8483069 0.81 LMNA (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15457047 0.81 LMNA (0.54) 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