SCHEMBL9501476

SCHEMBL9501476

CCOC(=O)[C@@H](NC(=O)CC)C(O)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.47
HPGD P15428 3/20 0.46
GAA P10253 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8789026 0.79 RAB9A (0.55) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9502166 0.78 TAS1R3 (0.50) CYP3A4KMT2AHPGDTAS1R3TAS1R1
SCHEMBL6138702 0.77 RAB9A (0.56) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12053329 0.76 CYP3A4 (0.55) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7502509 0.75 RAB9A (0.53) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7332440 0.75 CYP3A4 (0.53) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17822209 0.74 TAS1R3 (0.69) RAB9ACYP3A4CYP2C19NPC1CYP1A2
SCHEMBL30969950 0.74 TAS1R3 (0.69) RAB9ACYP3A4CYP2C19NPC1CYP1A2
SCHEMBL17822215 0.74 TAS1R3 (0.69) RAB9ACYP3A4CYP2C19NPC1CYP1A2
SCHEMBL24580937 0.74 CYP3A4 (0.52) RAB9ACYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375554-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE THREO-DIHYDROXYPHENYLSERINE DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-05-05 EP disclosed
EP-0375554-A2 Process for producing optically active threo-dihydroxyphenylserine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-06-27 EP disclosed