SCHEMBL3710075

SCHEMBL3710075

Cc1ccc(OCC(=O)O)c(Br)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.49
S1PR4 O95977 1/20 0.49
KDM4E B2RXH2 5/20 0.48
PKM P14618 2/20 0.47
HTT P42858 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL16742593 0.83 KDM4E (0.51) PTGDR2S1PR4KDM4EPKMHTT
SCHEMBL17972750 0.83 ALDH1A1 (0.47) S1PR4KDM4EPKMTDP1POLB
SCHEMBL14570557 0.83 S1PR4 (0.56) PTGDR2S1PR4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL12145951 0.80 S1PR4 (0.44) PTGDR2S1PR4KDM4EHTTTDP1
SCHEMBL16742921 0.80 KDM4E (0.66) PTGDR2S1PR4KDM4EPKMHTT
SCHEMBL15716449 0.80 PKM (0.47) PTGDR2KDM4EPKMTDP1POLB
SCHEMBL5532109 0.80 S1PR4 (0.49) PTGDR2S1PR4KDM4EPKMHTT
SCHEMBL3782032 0.80 PTGDR2 (0.55) PTGDR2KDM4EPKMTDP1POLB
SCHEMBL3781153 0.79 KDM4E (0.53) PTGDR2KDM4EPKMHTTTDP1
SCHEMBL20116703 0.77 S1PR4 (0.55) S1PR4KDM4ETDP1L3MBTL1SMN1; SMN2

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-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed