SCHEMBL29323873

SCHEMBL29323873

C=CC(=O)Oc1ccc(C(CS(=O)(=O)CCOC(C)=O)CS(=O)(=O)CCOC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
CA2 P00918 2/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
ESR1 P03372 2/20 0.32
CYP3A4 P08684 2/20 0.32
HIF1A Q16665 2/20 0.32
ABCB11 O95342 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRK1 P41145 1/20 0.32
STAT6 P42226 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL29323883 0.73 ELANE (0.49) THRBMAPTPOLBPKMKDM4E
SCHEMBL29323860 0.69 ELANE (0.41) THRBPOLBTSHRESR1HIF1A
SCHEMBL24446230 0.69 THRB (0.61) THRBPTGS2MAPTTSHRHPGD
SCHEMBL28705673 0.68 THRB (0.59) THRBMAPTPOLBPKMKDM4E
SCHEMBL4596363 0.67 THRB (0.54) THRBCA2MAPTKDM4ELMNA
SCHEMBL26943657 0.67 THRB (0.54) THRBPTGS2MAPTTSHRLMNA
SCHEMBL15803528 0.67 THRB (0.53) THRBMAPTPOLBTSHRKDM4E
SCHEMBL15803527 0.67 THRB (0.53) THRBMAPTPOLBTSHRKDM4E
SCHEMBL15803530 0.67 THRB (0.53) THRBTSHRKDM4ELMNAESR1
SCHEMBL19159505 0.67 THRB (0.62) THRBTSHRLMNACYP3A4HPGD

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