SCHEMBL17588942

SCHEMBL17588942

O=C1CC[C@H](CNC(=O)c2ccc(Cl)s2)O1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.58
▸ F2 P00734 4/20 0.53
▸ ABCB11 O95342 1/20 0.51
▸ ST14 Q9Y5Y6 1/20 0.51

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
SCHEMBL946532 0.81 F10 (0.59) F10F2ABCB11ST14
SCHEMBL76883 0.81 F10 (0.59) F10F2ABCB11ST14
SCHEMBL3359664 0.79 F10 (0.57) F10F2ABCB11ST14
SCHEMBL15857721 0.79 F10 (0.57) F10F2ABCB11ST14
SCHEMBL20618506 0.78 HDAC3 (0.58) F10F2
SCHEMBL9170598 0.74 NFKB1 (0.60) —
SCHEMBL24177659 0.74 F10 (1.00) F10F2ABCB11ST14
SCHEMBL13698655 0.74 F10 (1.00) F10F2ABCB11ST14
SCHEMBL77589 0.74 F10 (1.00) F10F2ABCB11ST14
SCHEMBL77993 0.73 F10 (0.89) F10F2ABCB11ST14

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
EP-2307407-B1 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD (KR) 2016-03-16 — — EP disclosed
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