SCHEMBL728468

SCHEMBL728468

CC(C)(C(=O)O[O])c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNN4 O15554 1/20 0.50
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPK1 P28482 1/20 0.43
CES1 P23141 1/20 0.41

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
SCHEMBL17681414 0.84 MAPT (0.59) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL9034523 0.83 MAPT (0.57) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL728471 0.83 KCNN4 (0.67) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL27993791 0.81 MAPT (0.55) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL27868527 0.81 MAPT (0.61) MAPTKMT2AKCNN4CYP2C19HIF1A
Hydrochloric Acid SCHEMBL27604363 0.81 KCNN4 (0.64) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL707651 0.81 MAPT (0.55) MAPTKMT2AKCNN4CYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL11249050 0.81 KCNN4 (0.64) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL18300624 0.79 MAPT (0.53) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL4954674 0.79 MAPT (0.53) MAPTKMT2AKCNN4CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08512028-A 1996-12-17 JP claimed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP claimed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO claimed
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-2261208-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 EP disclosed
US-6441179-B1 FOR PRODUCING ANTIALLERGY AGENTS AND BRONCHODILATORS MERRELL PHARMACEUTICALS INC. 2002-08-27 US disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed