SCHEMBL29323748

SCHEMBL29323748

C=C(C)C(=O)OCCC(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 4/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.37
MMP1 P03956 3/20 0.36
MMP7 P09237 3/20 0.36
MMP12 P39900 3/20 0.36
MMP13 P45452 3/20 0.36
ACE P12821 2/20 0.36
ELANE P08246 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
LARS1 Q9P2J5 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
SCHEMBL12204884 0.85 THRB (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL12204553 0.83 THRB (0.41) TDP1POLBAPEX1HTTTSHR
SCHEMBL28023651 0.80 LMNA (0.53) TDP1POLBTSHRLMNAHSD17B10
SCHEMBL11793653 0.78 TSHR (0.52) TDP1POLBAPEX1HTTTSHR
SCHEMBL235139 0.77 MTNR1A (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL9354378 0.77 TSHR (0.50) TDP1POLBAPEX1HTTTSHR
SCHEMBL1130280 0.77 MAPT (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL2174517 0.76 TSHR (0.48) TDP1POLBAPEX1HTTTSHR
SCHEMBL11606202 0.75 THRB (0.44) TDP1POLBAPEX1HTTTSHR
SCHEMBL5872395 0.75 LMNA (0.45) TDP1HTTTSHRATMLMNA

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