SCHEMBL9819563

SCHEMBL9819563

COc1cc(CN2CC(=O)NC2=O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TAAR1 Q96RJ0 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
GAA P10253 2/20 0.48
NFKB1 P19838 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.47
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 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
SCHEMBL9165337 0.87 LMNA (0.54) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL31703 0.81 MRGPRX4 (0.47) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL31947 0.80 LMNA (0.44) ALDH1A1KDM4EMAPTTSHRGAA
SCHEMBL6101068 0.77 GAA (0.73) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL28757730 0.75 EPHX2 (0.47) ALDH1A1TSHRGAANFKB1CYP1A2
SCHEMBL5365117 0.74 OPRK1 (0.64) SHBG
SCHEMBL30065107 0.73 EPHX2 (0.47) TAAR1MAPTMEN1CYP2C9KMT2A
SCHEMBL20189519 0.72 RAB9A (0.53) KDM4EHTTGAAMEN1KMT2A
SCHEMBL10639960 0.72 SHBG (0.46) ALDH1A1TAAR1KDM4EMAPTHTT
SCHEMBL8009140 0.71 EPHX2 (0.47) ALDH1A1MAPTTSHRGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-4716246-A Process for L-dopa MERCK & CO., INC. (US) 1987-12-29 US disclosed