SCHEMBL9457367

SCHEMBL9457367

CC(C)(C)c1cc(Oc2ccccc2)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ERN1 O75460 1/20 0.45
ESRRA P11474 3/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
LTA4H P09960 2/20 0.40
TSHR P16473 1/20 0.39
TTR P02766 1/20 0.39
GSTP1 P09211 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 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
SCHEMBL18957656 0.84 LMNA (0.46) LMNAKMT2AGAAERN1ALDH1A1
SCHEMBL6825691 0.79 MAOB (0.52) KMT2AERN1L3MBTL1NPC1RAB9A
SCHEMBL9114889 0.78 LMNA (0.50) LMNAKMT2AGAAERN1ALDH1A1
SCHEMBL11070371 0.76 LTA4H (0.45) LMNAKMT2AGAAESRRAALDH1A1
SCHEMBL1849155 0.76 LMNA (0.67) LMNAKMT2AGAAERN1ALDH1A1
SCHEMBL8550194 0.75 AR (0.44) LMNAKMT2AGAAERN1ALDH1A1
SCHEMBL28451899 0.75 ALDH1A1 (0.69) LMNAKMT2AGAAERN1ALDH1A1
SCHEMBL23709919 0.75 LMNA (0.50) LMNAKMT2AGAAERN1ALDH1A1
SCHEMBL1134249 0.75 LMNA (0.50) LMNAKMT2AGAAERN1ALDH1A1
SCHEMBL14428178 0.75 KMT2A (0.50) LMNAKMT2AGAAERN1ALDH1A1

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-5246960-A Used to treat obesity, hyperlipaemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1993-09-21 US disclosed
US-5175186-A Inhibits pancreas lepase and useful agent in treatment of obesity, hyperlipemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1992-12-29 US disclosed
US-4931463-A PANCREAS LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1990-06-05 US disclosed