SCHEMBL27320474

SCHEMBL27320474

C[C](C)CC(=O)c1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.55
HSD17B10 Q99714 7/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 11/20 0.50
HPGD P15428 7/20 0.50
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RCE1 Q9Y256 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
FADS1 O60427 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL10966054 0.88 ALDH1A1 (0.55) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL27579657 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10CFTRKDM4EHPGD
Formic Acid SCHEMBL28840569 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL18319627 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL21847565 0.82 MAPT (0.53) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL26800839 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL7093463 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL29568750 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL1207894 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRKDM4EHPGD
SCHEMBL16203311 0.78 MAPT (0.65) ALDH1A1HSD17B10CFTRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
CN-103224488-A Heterocyclic compound or salt thereof OTSUKA PHARMA CO LTD 2013-07-31 CN disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
CN-101842367-A Heterocyclic compounds and pharmaceutical compositions thereof OTSUKA PHARMA CO LTD 2010-09-22 CN disclosed
CN-101522657-A STAT3/5 activation inhibitor OTSUKA PHARMA CO LTD (JP) 2009-09-02 CN disclosed
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN disclosed
CN-1053666-C Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 2000-06-21 CN disclosed
CN-1030237-A BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1989-01-11 CN disclosed