SCHEMBL9710558

SCHEMBL9710558

COC(=O)OC1Cc2ccccc2CN1C(=O)[C@@](N)(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CASR P41180 2/20 0.35
▸ TBXA2R P21731 1/20 0.34
▸ KAT6A Q92794 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 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 0.93 CASR (0.38) MMP8MMP3CASRKAT6AF10
SCHEMBL9710643 0.92 MMP8 (0.40) MMP8MMP3MAPTPOLBKDM4E
SCHEMBL9710123 0.87 F10 (0.37) POLBTBXA2RKAT6AF10MMP1
SCHEMBL9710706 0.80 OPRM1 (0.36) MMP8MMP3MAPTPOLBKDM4E
SCHEMBL8954843 0.79 MMP8 (0.38) MMP8MMP3MAPTPOLBKDM4E
SCHEMBL9665265 0.76 CASR (0.40) CASRKAT6AF10MMP1CNR1
SCHEMBL8954996 0.76 F10 (0.39) MMP8MMP3F10MMP1MMP9
SCHEMBL8954799 0.75 F10 (0.48) F10
SCHEMBL9665510 0.75 F10 (0.38) F10
SCHEMBL9710711 0.74 KMT2A (0.40) POLBKDM4ELMNAHTTKMT2A

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-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
Send feedback