SCHEMBL29323722

SCHEMBL29323722

C=C(C)C(=O)OCCS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.50
HSD11B1 P28845 2/20 0.41
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 2/20 0.38
EPHX2 P34913 1/20 0.38
PKM P14618 1/20 0.38
CA2 P00918 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL8896484 0.83 ALDH1A1 (0.50) ALDH1A1LMNAGAAKMT2ACA2
SCHEMBL9555297 0.83 KMT2A (0.48) MMP1ALDH1A1HTTMEN1LMNA
SCHEMBL29323726 0.82 ALDH1A1 (0.41) MMP1ALDH1A1HTTMEN1LMNA
SCHEMBL1130280 0.81 MAPT (0.47) HSD11B1HTTLMNACA2MAPT
SCHEMBL29323724 0.80 HTT (0.33) MMP1ALDH1A1HTTMEN1LMNA
SCHEMBL1282212 0.80 MMP1 (0.55) MMP1HSD11B1IDO1KMT2ARORC
SCHEMBL9554954 0.76 THRB (0.46) ALDH1A1HTTMEN1LMNAGAA
SCHEMBL15502162 0.76 THRB (0.46) ALDH1A1LMNAGAAKMT2ACA2
SCHEMBL15502182 0.76 THRB (0.46) ALDH1A1LMNAGAAKMT2ACA2
SCHEMBL9555062 0.75 HTT (0.47) MMP1ALDH1A1HTTMEN1LMNA

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