SCHEMBL9710643

SCHEMBL9710643

N#Cc1ccc(C[C@](N)(C(=O)N2Cc3ccccc3CC2OC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NR1D1 P20393 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ KAT6A Q92794 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ TAS2R14 Q9NYV8 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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 0.92 MMP8 (0.38) MMP8MMP3KDM4ETBXA2RMAPT
SCHEMBL9710706 0.86 OPRM1 (0.36) MMP8MMP3KDM4EALDH1A1MCL1
SCHEMBL8954944 0.84 CASR (0.38) MMP8MMP3KAT6AOPRM1CASR
SCHEMBL8954799 0.83 F10 (0.48) —
SCHEMBL9665510 0.81 F10 (0.38) —
SCHEMBL8954843 0.80 MMP8 (0.38) MMP8MMP3KDM4EALDH1A1MCL1
SCHEMBL9710123 0.78 F10 (0.37) ALDH1A1TBXA2RKAT6APOLB
SCHEMBL9710711 0.74 KMT2A (0.40) KDM4EALDH1A1LMNAPOLBHTT
SCHEMBL9665755 0.72 CASR (0.38) KAT6ADPP4CASR
SCHEMBL8954996 0.71 F10 (0.39) MMP8MMP3NR1D1

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
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