SCHEMBL10823716

SCHEMBL10823716

COc1cc(O)cc(C)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.60
ACHE P22303 2/20 0.60
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 5/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL7718116 0.88 CA12 (0.59) CYP3A4ACHEKMT2AMEN1MAPK1
SCHEMBL23484417 0.83 CYP3A4 (0.68) CYP3A4ACHEMAPK1HPGDALDH1A1
SCHEMBL21939513 0.82 ALDH1A1 (0.49) CYP3A4ACHEKMT2AMEN1HPGD
SCHEMBL18677488 0.82 SYNJ2 (0.60) CYP3A4ACHEKMT2AMEN1MAPK1
SCHEMBL29034290 0.82 CYP3A4 (0.45) CYP3A4ACHEKMT2AMEN1MAPK1
SCHEMBL596800 0.81 CYP3A4 (0.78) CYP3A4ACHEKMT2AMEN1MAPK1
SCHEMBL11521410 0.81 CA12 (0.60) CYP3A4KMT2AMEN1MAPK1HPGD
SCHEMBL311761 0.81 KMT2A (0.57) CYP3A4KMT2AMEN1MAPK1HPGD
SCHEMBL30057138 0.81 CYP3A4 (0.79) CYP3A4ACHEKMT2AMEN1MAPK1
SCHEMBL19829855 0.80 CYP3A4 (0.55) CYP3A4ACHEKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61014981-A None JP disclosed
JP-S6114981-A RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1986-01-23 JP disclosed