SCHEMBL1822980

SCHEMBL1822980

O=C(O)NCCNC(=O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 4/20 0.46
P2RX1 P51575 4/20 0.44
TMPRSS4 Q9NRS4 2/20 0.44
P2RX4 Q99571 2/20 0.44
P2RX7 Q99572 2/20 0.44
ESRRG P62508 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
CES2 O00748 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL8980575 0.87 ALDH1A1 (0.54) SORT1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL1822050 0.85 MRGPRX4 (0.46) SORT1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL4455829 0.82 P2RX1 (0.46) SORT1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL13142979 0.82 MRGPRX4 (0.52) SORT1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL2677449 0.81 ESRRG (0.44) SORT1P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL10524850 0.80 ALDH1A1 (0.61) P2RX1TMPRSS4P2RX4P2RX7ALDH1A1
SCHEMBL115659 0.76 ALDH1A1 (0.65) SORT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1821214 0.75 ALOX12 (0.53) ALDH1A1HPGDMEN1KMT2A
SCHEMBL1821212 0.75 ALOX12 (0.53) ALDH1A1HPGDMEN1KMT2A
SCHEMBL27866247 0.74 ALDH1A1 (0.62) SORT1ALDH1A1KDM4EHPGDHSD17B10

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
EP-2813486-B1 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed
EP-2315740-B1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed
EP-2813486-A1 Fatty acid acetylated salicylates and their uses Catabasis Pharmaceuticals, Inc. (US) 2014-12-17 EP disclosed
EP-2315740-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2011-05-04 EP disclosed
WO-2010006085-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2010-01-14 WO disclosed