SCHEMBL19004112

SCHEMBL19004112

CC(=O)Nc1cccc(O)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAOA P21397 1/20 0.47
APOBEC3A P31941 1/20 0.47
GFER P55789 1/20 0.47
HDAC1 Q13547 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4959475 0.89 ALDH1A1 (0.59) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL29375572 0.83 GAA (0.63) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL19181071 0.83 GAA (0.63) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL79487 0.83 GAA (0.63) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL249105 0.82 ALDH1A1 (0.52) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL5725423 0.82 ALDH1A1 (0.57) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL6697979 0.82 ALDH1A1 (0.68) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL6783926 0.81 MAPT (0.57) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL27509577 0.81 GAA (0.61) ALDH1A1HPGDMAPTPOLBNPC1
SCHEMBL27511387 0.81 GAA (0.61) ALDH1A1HPGDMAPTPOLBNPC1

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-20170179387-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed