SCHEMBL8736645

SCHEMBL8736645

COc1ccc(CC(=O)C(=O)O)cc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.76
TSHR P16473 3/20 0.57
NFKB1 P19838 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
CYP1A2 P05177 1/20 0.54
ALOX12 P18054 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
APEX1 P27695 1/20 0.53
TUBB4A P04350 3/20 0.51
TUBB P07437 3/20 0.51
TUBA3C P0DPH7 3/20 0.51
TUBA1B P68363 3/20 0.51
TUBA4A P68366 3/20 0.51
TUBB4B P68371 3/20 0.51
TUBB3 Q13509 3/20 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
SCHEMBL2460191 0.87 GAA (0.76) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL31167481 0.87 GAA (0.76) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL29699330 0.86 GAA (1.00) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL347877 0.86 GAA (1.00) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL6700955 0.86 LDHA (0.60) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL30388881 0.83 GAA (0.75) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL18255551 0.83 GAA (0.75) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL8733776 0.81 GAA (0.63) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL5724393 0.81 GAA (0.73) GAATSHRNFKB1ALDH1A1TDP1
SCHEMBL1011093 0.81 GAA (0.73) GAATSHRNFKB1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62289194-A None JP disclosed
CN-1083422-C Process for production of phenyllatic acid derivative MITSUBISHI ARTIFICIAL SILK CO (JP) 2002-04-24 CN disclosed
EP-0696566-B1 Process for production of phenyllactic acid derivative NITTO CHEMICAL INDUSTRY CO LTD (JP) 1998-06-10 EP disclosed
US-5684186-A HYDROGENATION OF A PHENYLPYRUVIC DERIVATIVE NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-11-04 US disclosed
CN-1122325-A Process for production of phenyllatic acid derivative NITTO CHEMICAL INDUSTRY CO LTD (JP) 1996-05-15 CN disclosed
EP-0696566-A1 Process for production of phenyllactic acid derivative NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1996-02-14 EP disclosed
JP-S62289194-A PRODUCTION OF PHENYLALANINE OR ITS DERIVATIVE AJINOMOTO CO INC 1987-12-16 JP disclosed