SCHEMBL31058988

SCHEMBL31058988

COc1c(O)cc(O)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
TPMT P51580 5/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
TSHR P16473 1/20 0.45
APP P05067 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 3/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL8554349 0.82 MAPT (0.63) TDP1TPMTHSD17B10MAPTALDH1A1
SCHEMBL10355393 0.81 HSD17B10 (0.71) TDP1TPMTHSD17B10MAPTALDH1A1
SCHEMBL27354308 0.80 CA1 (0.45) TDP1TPMTHSD17B10MAPTALDH1A1
Iretol SCHEMBL3190103 0.78 TDP1 (1.00) TDP1TPMTMAPTALDH1A1CA12
SCHEMBL619429 0.77 TPMT (0.47) TDP1TPMTHSD17B10MAPTALDH1A1
SCHEMBL419090 0.76 TDP1 (0.50) TDP1TPMTHSD17B10MAPTALDH1A1
SCHEMBL31430675 0.75 TPMT (0.55) TDP1TPMTHSD17B10MAPTALDH1A1
SCHEMBL29115294 0.74 HSD17B10 (0.49) TDP1TPMTHSD17B10MAPTALDH1A1
SCHEMBL670626 0.74 TPMT (0.49) TDP1TPMTHSD17B10MAPTPTGS2
SCHEMBL25378470 0.73 TPMT (0.47) TDP1TPMTHSD17B10MAPTCA12

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
CN-118388755-A Color master batch with high color fastness and lasting dyeing and preparation method thereof 苏州克滋融科技有限公司 2024-07-26 CN claimed
CN-118388755-A Color master batch with high color fastness and lasting dyeing and preparation method thereof 苏州克滋融科技有限公司 2024-07-26 CN disclosed