SCHEMBL3883750

SCHEMBL3883750

COC(=O)CCc1ccc(OC2CCCC2)c(-c2ccc3sncc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PDE4B Q07343 9/20 0.37
PDE4A P27815 8/20 0.37
PDE4C Q08493 8/20 0.37
PDE4D Q08499 8/20 0.37
PTPN1 P18031 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3881912 0.90 S1PR1 (0.49) S1PR1HDAC1HDAC2FFAR4
SCHEMBL3684452 0.83 CCNC (0.49) HDAC1HDAC2FFAR4HRH3PDE4B
SCHEMBL3883470 0.83 CCNC (0.50) HDAC1HDAC2FFAR4PDE4BPDE4A
SCHEMBL3679980 0.83 MAPK14 (0.43) S1PR1HDAC1HDAC2FFAR4HRH3
SCHEMBL3886842 0.82 CCNC (0.48) HDAC1HDAC2FFAR4HRH3PDE4B
SCHEMBL3882064 0.82 MAPK14 (0.42) S1PR1HDAC1HDAC2FFAR4HRH3
SCHEMBL3887851 0.82 CCNC (0.49) HDAC1HDAC2FFAR4PDE4BPDE4A
SCHEMBL3887696 0.82 HDAC1 (0.40) S1PR1HDAC1HDAC2FFAR4HRH3
SCHEMBL3881928 0.82 MAPK14 (0.42) S1PR1HDAC1HDAC2FFAR4HRH3
SCHEMBL3885362 0.82 S1PR1 (0.37) S1PR1FFAR4PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed