SCHEMBL27100765

SCHEMBL27100765

CC1(C)c2cc(S(C)(=O)=O)ccc2NC12C=Cc1cc(C(=O)c3ccc(F)cc3)ccc1O2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.39
HIF1A Q16665 6/20 0.36
EPAS1 Q99814 6/20 0.36
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 2/20 0.32
VNN1 O95497 1/20 0.32
ESR1 P03372 1/20 0.31
BRD4 O60885 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31

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
SCHEMBL27100766 0.92 HIF1A (0.35) HIF1AEPAS1MEN1GFERKMT2A
SCHEMBL27100762 0.87 MEN1 (0.33) PTGS1HIF1AEPAS1MEN1GFER
SCHEMBL27100761 0.86 MEN1 (0.33) PTGS1HIF1AEPAS1MEN1GFER
SCHEMBL27100750 0.85 MAPT (0.34) HIF1AEPAS1MEN1GFERKMT2A
SCHEMBL27100755 0.84 ABCC9 (0.32) PTGS1MEN1GFERKMT2AVNN1
SCHEMBL27100799 0.83 TLK2 (0.33) PTGS1HIF1AEPAS1
SCHEMBL27100797 0.83 SIRT1 (0.33) PTGS1MEN1GFERKMT2A
SCHEMBL27100757 0.81 MEN1 (0.37) PTGS2PTGS1MEN1GFERKMT2A
SCHEMBL27100763 0.78 MEN1 (0.37) MEN1GFERKMT2AAKR1C2AKR1C1
SCHEMBL27100747 0.76 ALDH1A1 (0.34) PTGS2PTGS1HIF1AAKR1C2AKR1C1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066790-A1 Process and apparatus for locally polymerizing a starting material by dual color photopolymerization and method for volumetric printing of a shaped body XOLO GMBH (DE) 2024-02-29 US disclosed