SCHEMBL28758239

SCHEMBL28758239

COc1ccc(CC(N)CC(=O)O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.50
▸ FFAR1 O14842 2/20 0.46
▸ SIGMAR1 Q99720 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ FFAR2 O15552 1/20 0.40

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
SCHEMBL27624483 0.84 ALDH1A1 (0.49) LDHAHPGDGAAALDH1A1ALOX15
SCHEMBL3292792 0.82 LDHA (0.56) LDHAALDH1A1ALOX15PKMTDP1
SCHEMBL3291892 0.82 LDHA (0.56) LDHAALDH1A1ALOX15PKMTDP1
Hydrochloric Acid SCHEMBL15018843 0.79 ESR1 (0.47) HPGDGAAALDH1A1ALOX15ALOX12
SCHEMBL13623729 0.79 ANPEP (0.44) SIGMAR1ALOX15ALOX12
SCHEMBL13623723 0.79 SIGMAR1 (0.47) SIGMAR1ALOX15ALOX12
SCHEMBL13623727 0.79 SIGMAR1 (0.44) LDHASIGMAR1ALOX15ALOX12
SCHEMBL27624485 0.78 TAAR1 (0.41) FFAR1GAAALDH1A1ALOX15
SCHEMBL15723427 0.78 ALDH1A1 (0.64) LDHAHPGDALDH1A1ALOX15ALOX12
SCHEMBL13623724 0.78 SIGMAR1 (0.43) LDHASIGMAR1ALOX15ALOX12

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-1774635-A Anti-epileptogenic agents UNIV KINGSTON (CA) 2006-05-17 — — CN disclosed
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