SCHEMBL22017376

SCHEMBL22017376

O=C1OC(=O)c2cc(C(O)O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CA12 O43570 5/20 0.36
CA7 P43166 5/20 0.36
CA1 P00915 4/20 0.36
CA4 P22748 2/20 0.36
TYMS P04818 3/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
MAPT P10636 1/20 0.31
MCL1 Q07820 1/20 0.31
ESR1 P03372 1/20 0.31
MAOA P21397 1/20 0.31
UGT1A1 P22309 1/20 0.31
MAOB P27338 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL9405094 0.88 ALOX15 (0.46) ALOX15TDP1ALDH1A1CA12CA7
SCHEMBL10328403 0.84 UGT2B7 (0.46) ALOX15TDP1ALDH1A1CA12CA7
SCHEMBL21177274 0.81 CYP3A4 (0.40) ALOX15TDP1ALDH1A1CA12CA7
SCHEMBL28474872 0.80 ALOX15 (0.39) ALOX15TDP1ALDH1A1CA12CA7
SCHEMBL433935 0.79 ALDH1A1 (0.48) ALOX15TDP1ALDH1A1CA12CA7
SCHEMBL11436231 0.79 LMNA (0.52) ALOX15TDP1ALDH1A1CA1CA2
SCHEMBL28074442 0.79 ALOX15 (0.46) ALOX15TDP1ALDH1A1CA12CA7
SCHEMBL28789806 0.78 ALOX15 (0.38) ALOX15TDP1ALDH1A1CA12CA7
SCHEMBL14865631 0.78 ALOX15 (0.38) ALOX15TDP1ALDH1A1CA12CA7
SCHEMBL12267714 0.78 MAOA (0.52) TDP1ALDH1A1MAPTMCL1ESR1

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
EP-3653660-A1 THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER, THERMALLY CONDUCTIVE MATERIAL FORMATION COMPOSITION, DISC-SHAPED LIQUID CRYSTAL COMPOUND FUJIFILM Corporation (JP) 2020-05-20 EP disclosed