SCHEMBL10536718

SCHEMBL10536718

COC(=O)[C@H](Cc1ccccc1)N1C(=O)C=CC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PTPN7 P35236 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6997025 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL29017686 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL12205947 0.84 HSD11B1 (0.54) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL19597541 0.84 ALDH1A1 (0.70) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL9650037 0.84 ALDH1A1 (0.70) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL19597540 0.84 ALDH1A1 (0.70) HSD11B1ALDH1A1GAAPKMMEN1
SCHEMBL8873673 0.82 ALDH1A1 (0.68) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL10536673 0.82 ALDH1A1 (0.68) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL9326774 0.82 ALDH1A1 (0.68) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL9356396 0.80 BCL2L2 (0.54) HSD11B1ALDH1A1GAAPKMKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63185395-A None JP disclosed
US-H645-H Process for the conversion of maleic acid derivatives to their corresponding fumaric isomers THE NUTRASWEET COMPANY (US) 1989-06-06 US disclosed
JP-S63185395-A PRODUCTION OF L-ASPARTYL-L-PHENYLALANINE METHYL ESTER SHOWA DENKO KK 1988-07-30 JP disclosed
US-4709075-A REACTING ALKYL L-PHENYLALANATE AND MALEIC ANHYDRIDE HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-24 US disclosed
EP-0184732-A2 Use of N-maleinyl phenylalanine alkyl esters and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-18 EP disclosed