SCHEMBL29323767

SCHEMBL29323767

C=Cc1ccc(C(=O)OCCS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.44
HSD11B1 P28845 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
AKR1C3 P42330 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL29323772 0.87 ALDH1A1 (0.43) KMT2ATDP1ALDH1A1CA1CA2
SCHEMBL29323769 0.87 TDP1 (0.44) HSD11B1TDP1ALDH1A1CA12CA9
SCHEMBL29323762 0.85 SNCA (0.50) KMT2ATDP1ALDH1A1
SCHEMBL12376769 0.79 TDP1 (0.43) TDP1ALDH1A1CA1CA2
SCHEMBL29323779 0.79 TSHR (0.43) TDP1ALDH1A1CA1CA2
SCHEMBL29323853 0.79 TDP1 (0.39) KMT2APAX8HSD11B1TDP1PTGS2
SCHEMBL26417020 0.77 SNCA (0.49) KMT2ATDP1ALDH1A1CA12CA1
SCHEMBL29323796 0.75 ALDH1A1 (0.49) KMT2ATDP1ALDH1A1
SCHEMBL14578755 0.75 KMT2A (0.57) KMT2APAX8ALDH1A1CA2CA9
SCHEMBL18775820 0.74 KMT2A (0.45) KMT2ATDP1ALDH1A1ADRB2ADRB1

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