SCHEMBL3890185

SCHEMBL3890185

CC(Cc1ccc(OC2CCCC2)c(-c2ccc3nscc3c2)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.37
PDE4A P27815 5/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
KMO O15229 3/20 0.36
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
P2RX3 P56373 2/20 0.34
PLA2G10 O15496 3/20 0.34
PLA2G2A P14555 3/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G5 P39877 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
PLA2G12B Q9BX93 1/20 0.34
PLA2G12A Q9BZM1 1/20 0.34
PLA2G2F Q9BZM2 1/20 0.34

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
SCHEMBL3885129 0.84 FFAR4 (0.48) PDE4APDE4BPDE4CPDE4DKMO
SCHEMBL3889224 0.83 MAT2A (0.39) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL3892376 0.83 PDE4A (0.43) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL3883935 0.82 MAT2A (0.39) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL3887129 0.82 ADRB1 (0.44) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL3887696 0.82 HDAC1 (0.40) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3885362 0.82 S1PR1 (0.37) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL3882431 0.81 ADRB1 (0.36) TPH1PDE4APDE4BPDE4CPDE4D
SCHEMBL3891048 0.81 MAPK14 (0.41) TPH1S1PR1S1PR3
SCHEMBL3884512 0.81 IKBKB (0.44) PDE4AADRB1ADRB3KMOFFAR4

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 1 patent. 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