SCHEMBL8273552

SCHEMBL8273552

Nc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 9/20 0.43
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ PPID Q08752 2/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ MTTP P55157 2/20 0.38

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
SCHEMBL8273721 0.91 ADAM17 (0.39) ADAM17HDAC1HDAC2DPP4HDAC3
SCHEMBL8273723 0.91 KMT2A (0.42) ADAM17HDAC1HDAC2DPP4HDAC3
SCHEMBL8276794 0.90 ADAM17 (0.45) ADAM17DPP4MTTP
SCHEMBL8273554 0.87 MEN1 (0.45) ADAM17
SCHEMBL8273722 0.87 ADAM17 (0.42) ADAM17DPP4
SCHEMBL8222060 0.85 ADAM17 (0.54) ADAM17DPP4MTTP
SCHEMBL8215192 0.84 PTGDR2 (0.43) ADAM17
SCHEMBL8273720 0.83 HDAC2 (0.42) ADAM17HDAC1HDAC2DPP4HDAC3
SCHEMBL8215091 0.82 MTTP (0.42) ADAM17MTTP
SCHEMBL8222308 0.81 ADAM17 (0.41) ADAM17MTTP

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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