SCHEMBL26167790

SCHEMBL26167790

Cc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)NCCNC(=O)CC(C)C)O2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTPA P49638 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ACHE P22303 13/20 0.44
▸ BCHE P06276 12/20 0.44
▸ CAPN1 P07384 1/20 0.43
▸ MAOB P27338 1/20 0.41
▸ PSEN1 P49768 3/20 0.39

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
SCHEMBL26169545 0.93 PTGS1 (0.58) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL26167789 0.85 TTPA (0.50) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2059232 0.80 PTGS1 (0.62) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL26169544 0.79 PTGS1 (0.61) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL26167793 0.78 PTGS1 (0.59) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2059451 0.78 PTGS1 (0.64) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL16369376 0.78 PTGS1 (0.60) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL17289293 0.77 PTGS1 (0.65) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2059215 0.75 PTGS1 (0.67) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2059248 0.75 PTGS1 (0.67) TTPAPTGS1PTGS2CYP1A2CYP3A4

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-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 — — US disclosed
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