SCHEMBL4760256

SCHEMBL4760256

CC(C)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.62
CA2 P00918 2/20 0.61
CA1 P00915 1/20 0.61
NPSR1 Q6W5P4 2/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HPGDS O60760 2/20 0.58
MMP2 P08253 2/20 0.55
MMP3 P08254 2/20 0.55
MMP13 P45452 2/20 0.55
ADAMTS4 O75173 1/20 0.55
MMP1 P03956 1/20 0.55
MMP7 P09237 1/20 0.55
MMP9 P14780 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
ALOX12 P18054 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL1750357 1.00 DGAT1 (0.62) DGAT1CA2CA1NPSR1NPC1
SCHEMBL9462009 0.90 SLC1A2 (0.66) DGAT1CA2CA1NPSR1MMP2
SCHEMBL1168553 0.90 SLC1A2 (0.66) DGAT1CA2CA1NPSR1MMP2
SCHEMBL1168551 0.90 SLC1A2 (0.66) DGAT1CA2CA1NPSR1MMP2
SCHEMBL1912260 0.89 CA2 (0.62) DGAT1CA2CA1NPSR1NPC1
SCHEMBL10286666 0.87 SLC1A2 (0.59) DGAT1CA2CA1NPSR1NPC1
SCHEMBL14195921 0.86 NPC1 (0.55) DGAT1NPSR1NPC1RAB9AHPGDS
SCHEMBL404406 0.86 NPC1 (0.55) DGAT1NPSR1NPC1RAB9AHPGDS
SCHEMBL7285729 0.84 HPGDS (0.53) DGAT1CA2CA1NPSR1NPC1
SCHEMBL4682406 0.83 CA2 (0.65) CA2CA1NPSR1ALDH1A1LMNA

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-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP claimed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO claimed