SCHEMBL3885362

SCHEMBL3885362

CC(Cc1ccc(OC2CCCC2)c(-c2ccc3sncc3c2)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
TPH1 P17752 2/20 0.37
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
KMO O15229 3/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
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
SCHEMBL3881912 0.84 S1PR1 (0.49) S1PR1S1PR3S1PR5FFAR4
SCHEMBL3892376 0.83 PDE4A (0.43) TPH1S1PR5ADRB1ADRB3PDE4A
SCHEMBL3884512 0.83 IKBKB (0.44) ADRB1ADRB3KMOPDE4AFFAR4
SCHEMBL3891048 0.83 MAPK14 (0.41) S1PR1TPH1S1PR3
SCHEMBL3887129 0.82 ADRB1 (0.44) TPH1S1PR5ADRB1ADRB3KMO
SCHEMBL3893626 0.82 IKBKB (0.43) ADRB1ADRB3KMOPDE4AFFAR4
SCHEMBL3881923 0.82 MAPK14 (0.40) TPH1ADRB1ADRB3KMO
SCHEMBL3890185 0.82 TPH1 (0.37) S1PR1TPH1S1PR3S1PR5ADRB1
SCHEMBL3889253 0.82 MAPK14 (0.40) TPH1ADRB1ADRB3KMO
SCHEMBL3883750 0.82 S1PR1 (0.42) S1PR1PDE4APDE4BPDE4CPDE4D

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