SCHEMBL4081281

SCHEMBL4081281

CCCCOC(=O)C(C(=O)O)N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 4/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40

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
SCHEMBL26327619 0.84 LMNA (0.50) TSHRALDH1A1CYP3A4TP53SMN1; SMN2
SCHEMBL11171940 0.78 PIN1 (0.49) TSHRTDP1L3MBTL1ALDH1A1TP53
SCHEMBL11178102 0.77 NPSR1 (0.44) TSHRALDH1A1CYP3A4TP53SMN1; SMN2
SCHEMBL8761336 0.75 CHRNB2 (0.61) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL26327664 0.73 LMNA (0.45) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL29042899 0.73 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL26325985 0.73 LMNA (0.51) TSHRALDH1A1CYP3A4TP53SMN1; SMN2
SCHEMBL31220416 0.72 FABP5 (0.45) TP53KMT2A
SCHEMBL3231779 0.72 KMT2A (0.41) TSHRALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL3117956 0.72 TSHR (0.57) TSHRTDP1L3MBTL1ALDH1A1MAPK1

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-2009051910-A1 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed