SCHEMBL29323769

SCHEMBL29323769

C=Cc1ccc(C(=O)OCCS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
HSD11B1 P28845 4/20 0.43
MCL1 Q07820 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL29323767 0.87 KMT2A (0.44) TDP1CA12CA9HSD11B1ALDH1A1
SCHEMBL29323772 0.87 ALDH1A1 (0.43) TDP1CA9LMNAMAPTALDH1A1
SCHEMBL29323762 0.87 SNCA (0.50) TDP1LMNAMAPTRAB9AALDH1A1
SCHEMBL14336043 0.85 TDP1 (0.59) TDP1CA12CA9HSD11B1LMNA
SCHEMBL12376769 0.81 TDP1 (0.43) TDP1LMNAESR1ALDH1A1
SCHEMBL29323779 0.81 TSHR (0.43) TDP1LMNAMAPTESR1RAB9A
SCHEMBL29323796 0.80 ALDH1A1 (0.49) TDP1LMNAMAPTRAB9ANPC1
SCHEMBL26417020 0.79 SNCA (0.49) TDP1CA12CA9LMNAMAPT
SCHEMBL29323813 0.77 POLB (0.40) TDP1CA12CA9HSD11B1MCL1
SCHEMBL28734421 0.77 THRB (0.55) HSD11B1LMNAMAPTRAB9ANPC1

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
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed