SCHEMBL5693740

SCHEMBL5693740

C=C[C](O)c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PKM P14618 1/20 0.47
TGM2 P21980 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR1I2 O75469 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
PARP1 P09874 1/20 0.47

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
SCHEMBL13618052 0.80 MAPT (0.53) CA1CA2CES2CES1ALDH1A1
SCHEMBL11665015 0.80 CES2 (0.52) CA1CA2CES2CES1ALDH1A1
SCHEMBL22198795 0.77 CES2 (0.48) CA1CA2CES2CES1ALDH1A1
SCHEMBL6003192 0.77 MAPT (0.59) CA1CA2CES2CES1ALDH1A1
SCHEMBL546672 0.77 F3 (0.59) CA1CA2CES2CES1ALDH1A1
SCHEMBL28480552 0.77 PRSS1 (0.55) CA1CA2CES2CES1ALDH1A1
SCHEMBL13169175 0.75 CA1 (0.60) CA1CA2CES2CES1ALDH1A1
SCHEMBL6659781 0.74 CA1 (0.65) CA1CA2CES2CES1ALDH1A1
SCHEMBL31119870 0.74 HDAC3 (0.61) CA1CA2CES2CES1ALDH1A1
SCHEMBL30446001 0.74 SMN1; SMN2 (0.57) CA1CA2CES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283898-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS DSM IP ASSETS BV (NL) 2006-05-10 EP disclosed
WO-2005095629-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS BY MEANS OF AZEOTROPICALLY DRIED ENZYME COMPOSITIONS DSM IP ASSETS B.V. (NL) 2005-10-13 WO disclosed
WO-2005014509-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS DSM IP ASSETS B.V. (NL) 2005-02-17 WO disclosed
US-6841691-B2 Process for the preparation of enantiomerically enriched esters and alcohols DSM N.V. (NL) 2005-01-11 US disclosed
US-20040077059-A1 Process for the preparation of enantiomerically enriched esters and alcohols DSM IP ASSETS B.V. (NL) 2004-04-22 US disclosed
EP-1283898-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS DSM N.V. (NL) 2003-02-19 EP disclosed
WO-2001090396-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ESTERS AND ALCOHOLS DSM N.V. (NL) 2001-11-29 WO disclosed