SCHEMBL7997448

SCHEMBL7997448

O=c1[nH]c(=O)n(CCCCC(O)(O)O)c(=O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.33
APEX1 P27695 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 2/20 0.31
MAPK10 P53779 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
TSHR P16473 2/20 0.30
TP53 P04637 1/20 0.30
XBP1 P17861 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5914535 0.86 APEX1 (0.35) APEX1
SCHEMBL28426550 0.76 ALDH1A1 (0.44) TYMPAPEX1ALDH1A1HPGDHTT
SCHEMBL9230353 0.75 ALDH1A1 (0.50) APEX1ALDH1A1HPGDMAPTATM
SCHEMBL2048833 0.74 MAPT (0.47) ALDH1A1HPGDHTTMAPK10MAPT
SCHEMBL3936683 0.73 TSHR (0.32) HTTTSHR
SCHEMBL125274 0.73 APEX1 (0.33) APEX1
SCHEMBL4105918 0.72 HTT (0.49) ALDH1A1HPGDHTTMAPK10MAPT
SCHEMBL11357728 0.72 HTT (0.49) ALDH1A1HPGDHTTMAPK10MAPT
SCHEMBL3711327 0.72 MAPT (0.35) TYMPAPEX1ALDH1A1HPGDHTT
SCHEMBL7749303 0.72 HTT (0.49) ALDH1A1HPGDHTTMAPK10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832159-A4 AUTOMOTIVE COATINGS FROM NON-AQUEOUS DISPERSIONS SHERWIN WILLIAMS CO (US) 2000-04-12 EP claimed
EP-0832159-A1 AUTOMOTIVE COATINGS FROM NON-AQUEOUS DISPERSIONS THE SHERWIN-WILLIAMS COMPANY (US) 1998-04-01 EP claimed
WO-1996040828-A1 AUTOMOTIVE COATINGS FROM NON-AQUEOUS DISPERSIONS THE SHERWIN-WILLIAMS COMPANY (US) 1996-12-19 WO claimed