SCHEMBL2171480

SCHEMBL2171480

CCC(=O)OCC(C)C(OC(=O)CC)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
PRKCA P17252 1/20 0.33
NAAA Q02083 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C19 P33261 2/20 0.30
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL6789917 0.78 NAAA (0.40) ALOX15PRKCANAAAMAPTALDH1A1
SCHEMBL8400888 0.78 MAPT (0.37) ALOX15PRKCANAAAMAPTALDH1A1
SCHEMBL28288123 0.77 NAAA (0.36) ALOX15PRKCANAAAMAPTALDH1A1
SCHEMBL3308842 0.75 NAAA (0.32) ALOX15NAAAALDH1A1CYP2C19MEN1
SCHEMBL2170498 0.74 ALOX15 (0.33) ALOX15PRKCA
SCHEMBL9153618 0.72 MAPT (0.41) ALOX15PRKCANAAAMAPTALDH1A1
SCHEMBL181935 0.72 NAAA (0.39) PRKCANAAAMAPTALDH1A1LMNA
SCHEMBL15272720 0.71 MAPT (0.35) NAAAMAPTALDH1A1LMNACYP2C19
SCHEMBL25912438 0.71 TSHR (0.42) NAAAMAPTALDH1A1LMNACYP2C19
SCHEMBL20051870 0.70 MEN1 (0.36) ALOX15NAAAALDH1A1LMNACYP2C19

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
EP-2346535-A1 MALODOR CONTROL SYSTEM The Procter & Gamble Company (US) 2011-07-27 EP disclosed
WO-2010053891-A1 MALODOR CONTROL SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2010-05-14 WO disclosed