SCHEMBL8954944

SCHEMBL8954944

COC(=O)OC1Cc2ccccc2CN1C(=O)[C@@](N)(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.38
▸ KAT6A Q92794 1/20 0.36
▸ F10 P00742 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ MMP8 P22894 2/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ HPN P05981 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL9710558 0.93 MMP8 (0.38) CASRKAT6AF10CNR1CNR2
SCHEMBL9710123 0.90 F10 (0.37) KAT6AF10PLAUHPNPLG
SCHEMBL8954843 0.86 MMP8 (0.38) CASRKAT6AF10PIN1MMP8
SCHEMBL9710643 0.84 MMP8 (0.40) CASRKAT6AMMP8MMP3OPRM1
SCHEMBL9665265 0.84 CASR (0.40) CASRKAT6AF10CNR1CNR2
SCHEMBL9665029 0.81 CASR (0.41) CASRKAT6AF10PLAU
SCHEMBL8954996 0.80 F10 (0.39) F10MMP8MMP3PLAUMMP13
SCHEMBL8954799 0.79 F10 (0.48) F10PLAUHPNPLG
SCHEMBL9665510 0.78 F10 (0.38) F10PLAUHPNPLG
SCHEMBL8954772 0.76 F10 (0.40) CASRKAT6AF10PLAU

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 3 patents. 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
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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