SCHEMBL10901430

SCHEMBL10901430

CCOc1ccc(/C=C2\NC(C)OC2=O)cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
ACHE P22303 1/20 0.48
PTGS1 P23219 1/20 0.48
PDE4A P27815 1/20 0.48
SLC6A4 P31645 1/20 0.48
KCNH2 Q12809 1/20 0.48
PDE4B Q07343 3/20 0.47
PDE3A Q14432 3/20 0.47
SIRT1 Q96EB6 1/20 0.46
IGF1R P08069 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
NTSR1 P30989 3/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL10900715 0.83 PIM1 (0.48) ALDH1A1KMT2AMAPTMAPK1GAA
SCHEMBL10898779 0.83 KMT2A (0.55) PDE4BPDE3AALDH1A1KMT2AMAPT
SCHEMBL10900921 0.79 CBS (0.50) ALDH1A1KMT2AGAAKDM4EL3MBTL1
SCHEMBL10597425 0.75 ABCC4 (0.55) ABCC4ABCB11CHRM2ADRA2AADORA3
SCHEMBL10900059 0.74 IGF1R (0.42) SIRT1IGF1RALDH1A1KMT2AMAPK1
SCHEMBL10898389 0.73 SMN1; SMN2 (0.41) SIRT1ALDH1A1KMT2AMAPTHPGD
SCHEMBL8958542 0.73 LMNA (0.43) SIRT1ALDH1A1KMT2AMAPTMAPK1
SCHEMBL10899305 0.72 DYRK1A (0.54) ACHEALDH1A1MAPTDYRK1ANPSR1
SCHEMBL10896719 0.72 SIRT1 (0.48) SIRT1ALDH1A1MAPTGAAKDM4E
SCHEMBL8402323 0.72 ALPL (0.40) KMT2AMAPTHTTMEN1LMNA

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-4612388-A Process for producing N-acylphenylalanines MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1986-09-16 US claimed
US-4612388-A Process for producing N-acylphenylalanines MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1986-09-16 US disclosed
EP-0161796-A1 Process for producing N-acylphenylalanines MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-11-21 EP disclosed