SCHEMBL10358394

SCHEMBL10358394

COC1=CC(=O)OC1C(OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
CYP3A4 P08684 4/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
ACP3 P15309 1/20 0.33
FAAH O00519 1/20 0.32
KDM4E B2RXH2 4/20 0.31
HPGD P15428 4/20 0.31
TP53 P04637 3/20 0.31
ALOX15 P16050 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 3/20 0.31
USP2 O75604 2/20 0.31

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
SCHEMBL8822879 0.82 ACP3 (0.36) EPHX1CYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL9639884 0.70 ESR1 (0.34) CYP3A4MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9639422 0.69 CYP3A4 (0.33) CYP3A4MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4664940 0.68
SCHEMBL8305215 0.66 EPHX1 (0.45) EPHX1CYP3A4ALDH1A1CYP1A2KMT2A
SCHEMBL8308522 0.66 EPHX1 (0.45) EPHX1CYP3A4ALDH1A1CYP1A2KMT2A
SCHEMBL7294198 0.64 EPHX1 (0.55) EPHX1CYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL10359199 0.63
SCHEMBL19144912 0.62 IDO1 (0.64) EPHX1SLC6A2SLC6A4SLC6A3
SCHEMBL24768311 0.59 CHRNB4 (0.56) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247320-B1 5-ARYLALKYL-4-ALKOXY-2(5H)-FURANONES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION AS WELL AS THEIR APPLICATION AS THERAPEUTICALLY ACTIVE INGREDIENTS SCHWABE WILLMAR GMBH & CO (DE) 1990-12-27 EP claimed
US-4855320-A ANTICONVULSANTS, ANTIEPILEPTICS DR. WILLMAR SCHWABE GMBH & COMPANY (DE) 1989-08-08 US claimed
EP-0247320-A2 5-Arylalkyl-4-alkoxy-2(5H)-furanones, intermediates and process for their preparation as well as their application as therapeutically active ingredients Dr. Willmar Schwabe GmbH & Co. (DE) 1987-12-02 EP claimed
EP-0247320-B1 5-ARYLALKYL-4-ALKOXY-2(5H)-FURANONES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION AS WELL AS THEIR APPLICATION AS THERAPEUTICALLY ACTIVE INGREDIENTS SCHWABE WILLMAR GMBH & CO (DE) 1990-12-27 EP disclosed
US-4855320-A ANTICONVULSANTS, ANTIEPILEPTICS DR. WILLMAR SCHWABE GMBH & COMPANY (DE) 1989-08-08 US disclosed