SCHEMBL10898779

SCHEMBL10898779

COc1ccc(/C=C2/NC(C)OC2=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
PLIN1 O60240 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
PLIN5 Q00G26 1/20 0.48
ABHD5 Q8WTS1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PDE4B Q07343 2/20 0.47
PIM1 P11309 2/20 0.47
PIM3 Q86V86 2/20 0.47
PIM2 Q9P1W9 1/20 0.47
ALDH1A1 P00352 7/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL10901430 0.83 ABCC4 (0.48) KMT2AMAPTLMNAGAAMAPK1
SCHEMBL10900921 0.82 CBS (0.50) KMT2AGAAALDH1A1KDM4ERAB9A
SCHEMBL10899305 0.81 DYRK1A (0.54) MAPTPSMB5PIM1PIM2ALDH1A1
SCHEMBL10897268 0.78 KMT2A (0.44) KMT2AMAPTNCOA3KDM4EMEN1
SCHEMBL10900059 0.77 IGF1R (0.42) KMT2AMAPK1ALDH1A1MEN1
SCHEMBL10898389 0.76 SMN1; SMN2 (0.41) KMT2AMAPTLMNATDP1PIM1
SCHEMBL10896719 0.75 SIRT1 (0.48) MAPTGAAPIM1PIM2ALDH1A1
SCHEMBL8402323 0.75 ALPL (0.40) KMT2AMAPTLMNATDP1PIM1
SCHEMBL7990683 0.74 KMT2A (0.54) KMT2AMAPTLMNAPLIN1GAA
SCHEMBL10896573 0.74 DYRK2 (0.54) KMT2AMAPTLMNAMAPK1TDP1

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