SCHEMBL5798482

SCHEMBL5798482

O=C1c2ccccc2C(=O)N1C[C@H](O)CO

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.55
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
CASP3 P42574 2/20 0.44
GLS O94925 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6153732 1.00 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL5798484 1.00 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL30268729 1.00 MAPK1 (0.58) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL8939993 0.90 ALDH1A1 (0.64) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL17595505 0.86 MAPK1 (0.59) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL4712246 0.85 MAPK1 (0.55) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL4633511 0.83 MAPK1 (0.56) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL5641347 0.83 MAPK1 (0.56) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL4633515 0.83 MAPK1 (0.56) MAPK1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL6155955 0.83 ALDH1A1 (0.59) MAPK1ALDH1A1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586313-B Novel method for synthesizing N-substituted phthalic anhydride- (S) -isoserine 海正药业南通有限公司 2019-12-27 CN disclosed
CN-108586313-B Novel method for synthesizing N-substituted phthalic anhydride- (S) -isoserine 海正药业南通有限公司 2019-12-27 CN disclosed
EP-1648896-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP disclosed
WO-2006031179-A1 PROCESS FOR PREPARATION OF PHTALIMIDE ASTRAZENECA AB (SE) 2006-03-23 WO disclosed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 WO disclosed