SCHEMBL12475740

SCHEMBL12475740

O=C1OC(=O)c2c1cccc2C(c1ccccc1)(c1cccc2c1C(=O)OC2=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
TYMS P04818 3/20 0.34
NOTUM Q6P988 3/20 0.34
PTPN5 P54829 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
C1R P00736 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
PSMB8 P28062 1/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
PTPN1 P18031 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
SCHEMBL6857910 0.81 TDP1 (0.39) TDP1ALOX15TYMSNOTUMPTPN5
SCHEMBL544762 0.78 ALOX15 (0.41) TDP1ALOX15TYMSNOTUMPSMB8
SCHEMBL11729711 0.78 ALOX15 (0.44) TDP1ALOX15TYMSNOTUMSMN1; SMN2
SCHEMBL11887459 0.76 ALOX15 (0.39) TDP1ALOX15TYMSNOTUMPTPN5
SCHEMBL8597036 0.76 ALOX15 (0.39) TDP1ALOX15TYMSNOTUMPSMB8
SCHEMBL29254151 0.73 ALOX15 (0.45) TDP1ALOX15TYMSNOTUMC1R
SCHEMBL443593 0.73 ALOX15 (0.36) TDP1ALOX15TYMSCES1
SCHEMBL28252490 0.73 ALOX15 (0.36) TDP1ALOX15TYMSCES1
SCHEMBL28711707 0.72 ALOX15 (0.39) TDP1ALOX15TYMSNOTUMC1R
SCHEMBL308616 0.72 ALOX15 (0.36) TDP1ALOX15TYMSPTPN5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658897-A1 AMINO FUNCTIONALISED OLIGOIMIDES WITH ENHANCED STORAGE STABILITY Director General, Defence Research & Development Organisation (IN) 2013-11-06 EP claimed
WO-2012090055-A1 AMINO FUNCTIONALISED OLIGOIMIDES WITH ENHANCED STORAGE STABILITY DIRECTOR GENERAL, DEFENCE RESEARCH & DEVELOPMENT ORGANISATION (IN) 2012-07-05 WO claimed
EP-2658897-A1 AMINO FUNCTIONALISED OLIGOIMIDES WITH ENHANCED STORAGE STABILITY Director General, Defence Research & Development Organisation (IN) 2013-11-06 EP disclosed
WO-2012090055-A1 AMINO FUNCTIONALISED OLIGOIMIDES WITH ENHANCED STORAGE STABILITY DIRECTOR GENERAL, DEFENCE RESEARCH & DEVELOPMENT ORGANISATION (IN) 2012-07-05 WO disclosed