SCHEMBL16623692

SCHEMBL16623692

CC(O)Nc1ccc(Cc2ccc(NC(C)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 3/20 0.43
THRB P10828 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CASP1 P29466 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SAE1 Q9UBE0 3/20 0.39
UBA2 Q9UBT2 3/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL12192566 1.00 ALDH1A1 (0.43) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL23600814 0.86 TSHR (0.61) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL11453996 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL28275167 0.83 ABAT (0.43) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL2971862 0.81 TDP1 (0.54) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL11454955 0.81 LPL (0.44) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL8381321 0.76 CA12 (0.48) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL1003915 0.76 CA12 (0.52) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL48404 0.76 ALDH1A1 (0.78) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4
SCHEMBL15342891 0.76 TDP1 (0.48) ALDH1A1TSHRTDP1SMN1; SMN2CYP3A4

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
US-20150099229-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR BANK OF AMERICA, N.A., AS AGENT 2015-04-09 US disclosed