SCHEMBL4331423

SCHEMBL4331423

CCOC(=O)CC(=O)Cc1c(F)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL11305630 0.90 NLRP3 (0.52) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL29943508 0.88 KMT2A (0.60) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL5252336 0.88 KMT2A (0.60) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL4468837 0.86 KMT2A (0.53) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL12049934 0.81 KMT2A (0.55) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL7638197 0.80 KMT2A (0.56) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL838467 0.79 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL5254398 0.79 KDM4E (0.56) SMN1; SMN2ALDH1A1KMT2AMAPTGAA
SCHEMBL3021788 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL3021784 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146696-A1 USE OF INDOLE-3-CARBOXYLIC ESTERS FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE Universität Tübingen (DE) 2009-12-10 WO disclosed