SCHEMBL29323684

SCHEMBL29323684

C=CC(=O)OCCS(=O)(=O)C(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
TSHR P16473 6/20 0.39
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C19 P33261 2/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28722590 0.78 THRB (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL5070208 0.77 THRB (0.54) THRBTSHRHPGDALDH1A1TP53
SCHEMBL24709495 0.76 THRB (0.60) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28734421 0.75 THRB (0.55) THRBTSHRHPGDALDH1A1TP53
SCHEMBL22047091 0.74 THRB (0.51) THRBTSHRHPGDALDH1A1TP53
SCHEMBL11693593 0.73 THRB (0.50) THRBTSHRHPGDALDH1A1TP53
SCHEMBL23412734 0.73 THRB (0.54) THRBTSHRHPGDALDH1A1TP53
SCHEMBL22995734 0.73 TSHR (0.55) THRBTSHRHPGDALDH1A1CYP2C19
SCHEMBL295285 0.73 TSHR (0.55) THRBTSHRHPGDALDH1A1CYP2C19
SCHEMBL28767936 0.72 THRB (0.60) THRBTSHRHPGDALDH1A1TP53

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