SCHEMBL10425937

SCHEMBL10425937

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
SCHEMBL9405347 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 10 patents. 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
EP-0257920-B1 PROCESS FOR L-DOPA MERCK & CO. INC. (US) 1990-10-31 EP disclosed
EP-0158875-B1 CHIRAL-RHODIUM-DIPHOSPHINE COMPLEXES FOR ASYMETRIC HYDROGENATIONS F. HOFFMANN-LA ROCHE AG (CH) 1989-12-13 EP disclosed
EP-0257920-A1 Process for L-dopa MERCK & CO. INC. (US) 1988-03-02 EP disclosed
US-4716246-A Process for L-dopa MERCK & CO., INC. (US) 1987-12-29 US disclosed
US-4652657-A Chiral rhodium-diphosphine complexes HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
EP-0158875-A2 Chiral-rhodium-diphosphine complexes for asymetric hydrogenations F. HOFFMANN-LA ROCHE AG (CH) 1985-10-23 EP disclosed