SCHEMBL29601047

SCHEMBL29601047

O=C(CCc1ccc(O)cc1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
MAPT P10636 3/20 0.64
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
HCAR2 Q8TDS4 2/20 0.53
ALOX15 P16050 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
POLB P06746 1/20 0.52
SENP1 Q9P0U3 1/20 0.52
SELL P14151 1/20 0.51
SELP P16109 1/20 0.51
SELE P16581 1/20 0.51

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
SCHEMBL28723981 1.00 GAA (0.64) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL28745974 0.90 GAA (0.79) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL27546666 0.88 MAPT (0.62) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL27537231 0.88 GAA (0.62) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL27546623 0.88 POLB (0.67) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL4658103 0.86 GAA (0.69) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL7239204 0.85 ALDH1A1 (0.58) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL10316412 0.85 SELP (0.70) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL27567007 0.84 SLC1A3 (0.59) GAAMAPTRAB9ANPC1ALDH1A1
SCHEMBL27521337 0.84 RAB9A (0.69) GAAMAPTRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114369040-B 2- (3- (p-hydroxyphenyl) -propionamido) -benzoic acid glucosamine salt and preparation method thereof 广州同隽医药科技有限公司 2022-07-05 CN disclosed
CN-114369040-A 2- (3- (p-hydroxyphenyl) -propionamido) -benzoic acid glucosamine salt and preparation method thereof 广州同隽医药科技有限公司 2022-04-19 CN disclosed