SCHEMBL5023336

SCHEMBL5023336

CCOC(=O)C[C@@H](CC(=O)CCCl)OCOC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP1A2 P05177 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL5023333 1.00 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5023297 0.88 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL3778037 0.88 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL1268514 0.86 GAA (0.43) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL1268677 0.84 MGAM (0.41) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL28479927 0.83 MGAM (0.38) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL28479929 0.83 MGAM (0.38) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL6469747 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL5138160 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL27617039 0.80 MGAM (0.38) ALDH1A1CYP3A4ALOX15TSHRTDP1

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-7420078-B2 Process for the preparation of intermediates useful in the synthesis of statin derivatives especially 7-amino 3,5-dihydroxy heptanoic acid derivatives, and intermediates thereof CIBA SPECIALTY CHEMICALS CORP. (US) 2008-09-02 US claimed
EP-1404639-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF Ciba SC Holding AG (CH) 2004-04-07 EP claimed
WO-2003004450-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF STATIN DERIVATIVES ESPECIALLY 7-AMINO 3,5-DIHYDROXY HEPTANOIC ACID DERIVATIVES, AND INTERMEDIATES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-16 WO claimed