SCHEMBL21625554

SCHEMBL21625554

COc1ccc(CC(N)C(=O)O)c(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
BLM P54132 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
PMP22 Q01453 3/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
NFKB1 P19838 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HIF1A Q16665 2/20 0.43
PKM P14618 2/20 0.43
RGS12 O14924 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL15085672 1.00 TNF (0.43) TNFBLMKMT2AMEN1KDM4E
SCHEMBL30611533 0.89 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL23387521 0.89 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL15105505 0.89 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1
SCHEMBL27984915 0.86 GRIK1 (0.39) GRIK1GRIK2
SCHEMBL31070923 0.86 TNF (0.43) TNFBLMKMT2AMEN1KDM4E
SCHEMBL15085696 0.86 TNF (0.43) TNFBLMKMT2AMEN1KDM4E
SCHEMBL15105507 0.81 CYP2D6 (0.39) TNFKMT2AMEN1KDM4ELMNA
SCHEMBL5287555 0.80 KDM4E (0.53) TNFBLMKMT2AMEN1KDM4E
SCHEMBL13957680 0.79 IDO1 (0.53) BLMKMT2AMEN1KDM4ELMNA

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
CN-109195601-A Pharmaceutical composition for treating cancer 迪美公司 2019-01-11 CN claimed
EP-3823626-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM Yamo Pharmaceuticals LLC (US) 2021-05-26 EP disclosed
EP-3823593-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM Yamo Pharmaceuticals LLC (US) 2021-05-26 EP disclosed
WO-2020018291-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM YAMO PHARMACEUTICALS LLC (US) 2020-01-23 WO disclosed
WO-2020018292-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM YAMO PHARMACEUTICALS LLC (US) 2020-01-23 WO disclosed
CN-107714684-A Pharmaceutical composition and its application comprising α methyl DL tyrosine 迪美公司 2018-02-23 CN disclosed
CN-104220057-B Pharmaceutical compositions and methods 迪美公司 2017-11-03 CN disclosed