SCHEMBL27309568

SCHEMBL27309568

N#Cc1ccc(CCC(=O)C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.48
▸ SAE1 Q9UBE0 1/20 0.47
▸ UBA2 Q9UBT2 1/20 0.47
▸ CNR1 P21554 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ KCNJ1 P48048 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CTBP2 P56545 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL7338789 0.81 FFAR1 (0.53) FFAR1SAE1UBA2CNR1MMP12
SCHEMBL27322168 0.80 FFAR1 (0.52) FFAR1CNR1FFAR4ALDH1A1GSK3B
SCHEMBL1337387 0.79 FFAR1 (0.69) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL2339114 0.78 FFAR1 (0.50) FFAR1SAE1UBA2CNR1MMP12
SCHEMBL1507376 0.78 ALDH1A1 (0.57) FFAR1SAE1UBA2MMP12MMP13
SCHEMBL5315290 0.78 FFAR1 (0.50) FFAR1SAE1UBA2CNR1MMP12
SCHEMBL27383082 0.78 FFAR1 (0.50) FFAR1SAE1UBA2CNR1MMP12
SCHEMBL2412668 0.78 FFAR1 (0.50) FFAR1SAE1UBA2CNR1MMP12
Hydrochloric Acid SCHEMBL7956222 0.78 FFAR1 (0.67) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL10671478 0.76 GSK3B (0.59) FFAR1SAE1UBA2MMP12MMP13

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
CN-1032648-C Process for preparation of platelet activating factor antagonist FIZER LTD (GB) 1996-08-28 — — CN disclosed
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