SCHEMBL325583

SCHEMBL325583

CCCC[C@@H](CC)C[C@H](N)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
CA2 P00918 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
SLC1A3 P43003 1/20 0.43
GPR84 Q9NQS5 4/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL325582 1.00 S1PR2 (0.45) S1PR2S1PR1CA2ALDH1A1TDP1
SCHEMBL27581282 0.95 GPR84 (0.49) S1PR2S1PR1CA2ALDH1A1TDP1
SCHEMBL27623727 0.93 GPR84 (0.51) S1PR2S1PR1ALDH1A1SLC1A2SLC1A1
SCHEMBL27487298 0.93 GPR84 (0.51) S1PR2S1PR1ALDH1A1SLC1A2SLC1A1
SCHEMBL325890 0.89 ALDH1A1 (0.42) S1PR2S1PR1ALDH1A1TDP1SLC1A2
SCHEMBL325889 0.89 ALDH1A1 (0.42) S1PR2S1PR1ALDH1A1TDP1SLC1A2
SCHEMBL326176 0.85 CACNA2D1 (0.42) S1PR2S1PR1ALDH1A1TDP1SLC1A2
SCHEMBL5496400 0.81 S1PR2 (0.57) S1PR2S1PR1CA2ALDH1A1SLC1A2
SCHEMBL6466558 0.81 S1PR2 (0.57) S1PR2S1PR1CA2ALDH1A1SLC1A2
SCHEMBL9176596 0.81 ALDH1A1 (0.54) CA2ALDH1A1TDP1GPR84MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791108-A1 SULFONAMIDE DERIVATIVES Pfizer Limited (GB) 2014-10-22 EP disclosed
EP-2731959-A1 ENKEPHALIN ANALOGUES Pfizer Limited (GB) 2014-05-21 EP disclosed
WO-2013088315-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2013-06-20 WO disclosed
EP-2593431-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-22 EP disclosed
EP-2590972-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2013008123-A1 ENKEPHALIN ANALOGUES PFIZER LIMITED (GB) 2013-01-17 WO disclosed
WO-2012007869-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2010018484-A1 NEW USES OF DIISOPROPYLAMINE DERIVATIVES PFIZER LIMITED (GB) 2010-02-18 WO disclosed