SCHEMBL9639299

SCHEMBL9639299

COC1=C(CO)C(=O)OC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
APP P05067 1/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 1/20 0.38
NR3C1 P04150 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL20153612 0.74 APP (0.39) ALDH1A1APPMAPTTDP1HSD17B10
SCHEMBL10451505 0.70 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL4686888 0.66 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4EMAPTNR3C1
SCHEMBL11954839 0.65 ALDH1A1 (0.45) ALDH1A1APPKMT2ASMN1; SMN2KDM4E
SCHEMBL11954845 0.64 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL31650964 0.64 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL11894848 0.64 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL11894845 0.64 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL7564280 0.63 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL19620734 0.63 MAPT (0.60) ALDH1A1KMT2ASMN1; SMN2KDM4EMAPT

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 10 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-0349609-B1 AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE Dr. Willmar Schwabe GmbH & Co. (DE) 1992-08-05 EP disclosed
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-4965283-A Anticonvillsants, antiepileptic agents DR. WILLMAR SCHWABE GMBH & CO. (DE) 1990-10-23 US disclosed
EP-0349609-A1 AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE Dr. Willmar Schwabe GmbH & Co. (DE) 1990-01-10 EP disclosed
US-4855320-A ANTICONVULSANTS, ANTIEPILEPTICS DR. WILLMAR SCHWABE GMBH & COMPANY (DE) 1989-08-08 US disclosed
WO-1989004310-A1 AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE DR. WILLMAR SCHWABE GMBH & CO. (DE) 1989-05-18 WO disclosed
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 disclosed