SCHEMBL9405347

SCHEMBL9405347

COc1cc(C[C@H](NC(C)=O)C(=O)O)ccc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
FPR2 P25090 1/20 0.54
PTGS1 P23219 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.48
ACACB O00763 1/20 0.47
ALOX15 P16050 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 1/20 0.46
MME P08473 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
SCHEMBL9819533 1.00 LDHA (0.56) LDHAFPR2PTGS1ALDH1A1MEN1
SCHEMBL10425937 1.00 LDHA (0.56) LDHAFPR2PTGS1ALDH1A1MEN1
SCHEMBL25471843 0.93 ITGB3 (0.49) LDHAFPR2PTGS1ALDH1A1TSHR
SCHEMBL2516039 0.92 LDHA (0.66) LDHAFPR2ALDH1A1MEN1KMT2A
SCHEMBL3419160 0.92 LDHA (0.66) LDHAFPR2ALDH1A1MEN1KMT2A
SCHEMBL2516037 0.92 LDHA (0.66) LDHAFPR2ALDH1A1MEN1KMT2A
Water SCHEMBL9352790 0.91 LDHA (0.64) LDHAFPR2ALDH1A1MEN1KMT2A
SCHEMBL6659765 0.90 PTGS1 (0.53) LDHAPTGS1ALDH1A1MEN1KMT2A
SCHEMBL6659770 0.90 PTGS1 (0.53) LDHAPTGS1ALDH1A1MEN1KMT2A
Alanine SCHEMBL18301528 0.86 LDHA (0.58) LDHAFPR2ALDH1A1MEN1KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257920-B1 PROCESS FOR L-DOPA MERCK & CO. INC. (US) 1990-10-31 EP claimed
EP-0257920-A1 Process for L-dopa MERCK & CO. INC. (US) 1988-03-02 EP claimed
US-4716246-A Process for L-dopa MERCK & CO., INC. (US) 1987-12-29 US claimed
US-4005127-A L-Dopa process and intermediates MONSANTO COMPANY (US) 1977-01-25 US claimed
US-7579482-B2 Structure of camphor-derived chiral auxiliary and method for forming the same NATIONAL TAIWAN NORMAL UNIVERISTY (TW) 2009-08-25 US disclosed
EP-0357565-B1 New process for the synthesis of the levodopa MINI RICERCA SCIENT TECNOLOG (IT) 1994-09-14 EP disclosed
EP-0266117-B1 PROCESS FOR PURIFIED AMINO ACIDS MERCK & CO. INC. (US) 1991-05-02 EP disclosed
EP-0257920-B1 PROCESS FOR L-DOPA MERCK & CO. INC. (US) 1990-10-31 EP disclosed
EP-0357565-A2 New process for the synthesis of the levodopa MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1990-03-07 EP disclosed
EP-0266117-A1 Process for purified amino acids MERCK & CO. INC. (US) 1988-05-04 EP disclosed
US-4740615-A LOW PRESSURE TEMPERATURE GRADIENT CHROMATOGRAPHY MERCK & CO., INC. (US) 1988-04-26 US disclosed
EP-0257920-A1 Process for L-dopa MERCK & CO. INC. (US) 1988-03-02 EP disclosed
EP-0031877-A1 Optically active 1,2-Bis-(diphenylphosphino)-compounds, metal complexes containing them as chiral ligands and their use Degussa Aktiengesellschaft (DE) 1981-07-15 EP disclosed
US-4265827-A METHYLCYCOHEXYL-O-ANISYLARSINE OPTICALLY ACTIVE CATALYST MONSANTO COMPANY (US) 1981-05-05 US disclosed
US-4261919-A OF BETA-SUBSTITUTED-ALPHA-ACYLAMIDO-ACRYLIC ACIDS TO YIELD OPTICALLY ACTIVE MIXTURE MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4220590-A OPTICALLY ACTIVE BIS PHOSPHINE COMPOUNDS MONSANTO COMPANY (US) 1980-09-02 US disclosed
US-4142992-A ASYMMETRIC CATALYSIS MONSANTO COMPANY (US) 1979-03-06 US disclosed
US-4124533-A HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1978-11-07 US disclosed
US-4008281-A BIS-PHOSPHINE MONSANTO COMPANY (US) 1977-02-15 US disclosed
US-4005127-A L-Dopa process and intermediates MONSANTO COMPANY (US) 1977-01-25 US disclosed