SCHEMBL9710123

SCHEMBL9710123

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.37
▸ PLG P00747 2/20 0.35
▸ HPN P05981 1/20 0.35
▸ PLAU P00749 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ TBXA2R P21731 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ ATG4B Q9Y4P1 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
SCHEMBL8954944 0.90 CASR (0.38) F10PLGHPNPLAUMMP13
SCHEMBL8954996 0.89 F10 (0.39) F10PLAUMMP1MMP9MMP13
SCHEMBL9710558 0.87 MMP8 (0.38) F10MMP1MMP9MMP13TBXA2R
SCHEMBL8954799 0.81 F10 (0.48) F10PLGHPNPLAUF2
SCHEMBL9665510 0.81 F10 (0.38) F10PLGHPNPLAUF2
SCHEMBL9710706 0.79 OPRM1 (0.36) F10TBXA2RPOLBALDH1A1
SCHEMBL9710643 0.78 MMP8 (0.40) TBXA2RKAT6APOLBALDH1A1
SCHEMBL8954783 0.76 F10 (0.49) F10PLGHPNPLAUF2
SCHEMBL8954843 0.76 MMP8 (0.38) F10KAT6APOLBALDH1A1
SCHEMBL8954645 0.75 F10 (0.40) F10PLGPLAUF2POLB

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-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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