SCHEMBL9501796

SCHEMBL9501796

COC(C(=O)O)C(Sc1ccc(C(=O)O)cc1)c1ncccc1SCCCCCCSc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.41
PLA2G4A P47712 1/20 0.41
PLA2G2A P14555 1/20 0.40
PLK1 P53350 1/20 0.35
HTT P42858 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PTGS2 P35354 4/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9504626 0.79 NPC1 (0.43) PLA2G4BPLA2G4APLA2G2AALDH1A1MEN1
SCHEMBL9504619 0.73 FAAH (0.41) PLA2G4BPLA2G4APLA2G2AALDH1A1SMN1; SMN2
SCHEMBL9501572 0.70 TP53 (0.45) PLA2G4BPLA2G4APTGS2
SCHEMBL9501466 0.67 ALDH1A1 (0.41) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8937745 0.67 CYSLTR2 (0.47) PLA2G4BPLA2G4APLA2G2A
SCHEMBL9364503 0.67 CYSLTR2 (0.47) PLA2G4BPLA2G4APLA2G2A
SCHEMBL14093841 0.66 PLA2G4B (0.47) PLA2G4BPLA2G4APLA2G2APLK1HTT
SCHEMBL9428739 0.66 PTGER1 (0.46) PLA2G4BPLA2G4APLA2G2AHTT
SCHEMBL9502590 0.64 CYSLTR2 (0.47) PLA2G4BPLA2G4APLA2G2APOLB
SCHEMBL14093897 0.64 PLA2G4B (0.46) PLA2G4BPLA2G4APLA2G2APLK1HTT

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-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed