Pivalate

Pivalate

SCHEMBL10967155

CC(C)(C)C(=O)O.CC(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.55
PPARG P37231 6/20 0.55
FABP2 P12104 1/20 0.55
SLC22A12 Q96S37 1/20 0.55
ELANE P08246 1/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPT P10636 2/20 0.49
CYP2C19 P33261 2/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL4753580 0.93 HPGD (0.54) PPARAPPARGFABP2SLC22A12ELANE
Hydrochloric Acid SCHEMBL10967781 0.92 HPGD (0.53) PPARAPPARGFABP2SLC22A12ELANE
Bromomethane SCHEMBL10967617 0.91 HPGD (0.51) PPARAPPARGFABP2SLC22A12ELANE
SCHEMBL28619870 0.86 PPARA (0.58) PPARAPPARGMEN1KMT2AMAPK1
SCHEMBL21895800 0.86 PPARA (0.58) PPARAPPARGMEN1KMT2AMAPK1
SCHEMBL1305299 0.86 PPARA (0.58) PPARAPPARGMEN1KMT2AMAPK1
Water SCHEMBL11798405 0.84 PPARA (0.56) PPARAPPARGMEN1KMT2AMAPK1
Clofibric Acid SCHEMBL147972 0.83 PPARA (0.68) PPARAPPARGFABP2SLC22A12MEN1
SCHEMBL11536518 0.82 PPARA (0.54) PPARAPPARGMEN1KMT2ACYP1A2
SCHEMBL11884564 0.82 ABCB1 (0.62) PPARAPPARGELANEHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0036218-B1 SALTS OF THE 3-HYDROXY QUINUCLIDINE ESTERS OF A PHENOXYCARBOXYLIC ACID, A PROCESS FOR THE PREPARATION THEREOF, AND RELATED PHARMACEUTICAL COMPOSITIONS D and D S.r.l. (IT) 1985-07-31 EP claimed
US-4355166-A Quinuclidinic ester and derivatives of phenoxycarboxylic acids D AND D S.R.L. (IT) 1982-10-19 US claimed
EP-0036218-A2 Salts of the 3-hydroxy quinuclidine esters of a phenoxycarboxylic acid, a process for the preparation thereof, and related pharmaceutical compositions D and D S.r.l. (IT) 1981-09-23 EP claimed
EP-0036218-B1 SALTS OF THE 3-HYDROXY QUINUCLIDINE ESTERS OF A PHENOXYCARBOXYLIC ACID, A PROCESS FOR THE PREPARATION THEREOF, AND RELATED PHARMACEUTICAL COMPOSITIONS D and D S.r.l. (IT) 1985-07-31 EP disclosed
US-4355166-A Quinuclidinic ester and derivatives of phenoxycarboxylic acids D AND D S.R.L. (IT) 1982-10-19 US disclosed
EP-0036218-A2 Salts of the 3-hydroxy quinuclidine esters of a phenoxycarboxylic acid, a process for the preparation thereof, and related pharmaceutical compositions D and D S.r.l. (IT) 1981-09-23 EP disclosed