SCHEMBL10960908

SCHEMBL10960908

O=C(OCc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 0.44
FKBP1A P62942 6/20 0.42
ACE P12821 3/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 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
SCHEMBL10960000 1.00 PREP (0.44) PREPFKBP1AACEMEN1USP2
SCHEMBL10958744 1.00 PREP (0.44) PREPFKBP1AACEMEN1USP2
SCHEMBL10960970 1.00 PREP (0.44) PREPFKBP1AACEMEN1USP2
SCHEMBL10957344 0.98 PREP (0.42) PREPFKBP1AACEMEN1KMT2A
SCHEMBL11045501 0.85 PREP (0.38) PREPFKBP1AACEMEN1USP2
SCHEMBL11034295 0.85 PREP (0.38) PREPFKBP1AACEMEN1USP2
SCHEMBL11035261 0.85 PREP (0.38) PREPFKBP1AACEMEN1USP2
SCHEMBL11033625 0.83 PREP (0.36) PREPACEMEN1LMNAKMT2A
SCHEMBL9774133 0.81 PREP (0.47) PREPFKBP1AACEMEN1USP2
SCHEMBL9775269 0.81 ACE (0.46) PREPFKBP1AACEMEN1USP2

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-4525301-A REACTING TRIFLUOROMETHANE SULFONIC ACID DERIVATIVES WITH AMINO ACID ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-25 US disclosed