SCHEMBL30678952

SCHEMBL30678952

CC(C(=O)ONC(=O)OCC(Cl)(Cl)Cl)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MME P08473 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL30678961 0.78 KMT2A (0.40) HTTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL30678988 0.78 L3MBTL1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30678998 0.78 MEN1 (0.56) PTGS2CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL30678960 0.77 CYP1A2 (0.39) CYP1A2CYP2D6HTTKMT2AMEN1
SCHEMBL30678968 0.77 CYP1A2 (0.39) CYP1A2CYP2D6HTTKMT2AMEN1
SCHEMBL30678991 0.77 MEN1 (0.38) HTTKMT2AMEN1SMN1; SMN2
SCHEMBL30678990 0.77 HTT (0.42) PTGS2PTGS1CYP1A2CYP3A4CYP2D6
SCHEMBL30678934 0.77 HTT (0.42) PTGS2PTGS1CYP1A2CYP3A4CYP2D6
SCHEMBL30678987 0.77 HTT (0.42) PTGS2PTGS1CYP1A2CYP3A4CYP2D6
SCHEMBL1746047 0.76 PTGS2 (0.56) EDNRAPTGS2PTGS1KMT2AHPGD

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-4249470-B1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS UNIV MARBURG (DE) 2024-11-13 — — EP disclosed
EP-4249470-A1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2023-09-27 — — EP disclosed
Send feedback