SCHEMBL8954772

SCHEMBL8954772

COC(=O)C1CC2CCCCC2CN1C(=O)[C@@](N)(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.40
▸ CASR P41180 2/20 0.38
▸ PLAU P00749 2/20 0.37
▸ ADAM17 P78536 2/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ KAT6A Q92794 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ F2 P00734 1/20 0.34

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
SCHEMBL8954607 0.91 CASR (0.36) F10CASRADAM17MMP1KAT6A
SCHEMBL9665265 0.89 CASR (0.40) F10CASRPLAUADAM17MMP1
SCHEMBL8954708 0.83 CASR (0.39) F10CASRPLAUADAM17MMP1
SCHEMBL8954993 0.81 CASR (0.41) F10CASRADAM17MMP1KAT6A
SCHEMBL9665029 0.79 CASR (0.41) F10CASRPLAUKAT6AHCRTR1
SCHEMBL8954756 0.78 F10 (0.38) F10PLAUHCRTR1HCRTR2F2
SCHEMBL8954767 0.78 F10 (0.50) F10PLAUF2
Hydrochloric Acid SCHEMBL8954995 0.77 F10 (0.49) F10PLAUF2
SCHEMBL8954682 0.77 ALOX5AP (0.38) F10CASRADAM17MMP1KAT6A
SCHEMBL9664400 0.76 ALDH1A1 (0.47) F10CASRPLAUKAT6AF2

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-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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