SCHEMBL9502166

SCHEMBL9502166

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.50
TAS1R1 Q7RTX1 5/20 0.50
EDNRA P25101 4/20 0.48
KMT2A Q03164 3/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9501357 0.87 MME (0.48) KMT2AHPGDMEN1
SCHEMBL19625533 0.87 MME (0.48) KMT2AHPGDMEN1
SCHEMBL9501146 0.81 NPC1 (0.56) TAS1R3TAS1R1EDNRACYP3A4
SCHEMBL10875005 0.80 EDNRA (0.51) TAS1R3TAS1R1EDNRAKMT2AHPGD
SCHEMBL18076242 0.80 EDNRA (0.51) TAS1R3TAS1R1EDNRAKMT2AHPGD
SCHEMBL10874124 0.80 EDNRA (0.51) TAS1R3TAS1R1EDNRAKMT2AHPGD
SCHEMBL805660 0.79 EDNRA (0.55) TAS1R3TAS1R1EDNRAKMT2AHPGD
Hydrochloric Acid SCHEMBL10874331 0.79 EDNRA (0.50) TAS1R3TAS1R1EDNRAKMT2AHPGD
SCHEMBL9501476 0.78 RAB9A (0.48) TAS1R3TAS1R1KMT2AHPGDCYP3A4
SCHEMBL22404286 0.78 EDNRA (0.56) TAS1R3TAS1R1EDNRAKMT2AHPGD

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