SCHEMBL9694336

SCHEMBL9694336

COc1ccccc1C1=C(C(=O)O)CC(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR35 Q9HC97 3/20 0.42
DHODH Q02127 3/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
RXRA P19793 1/20 0.40
PPARD Q03181 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 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
SCHEMBL27660488 0.69 KDM4E (0.48) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL18228978 0.67 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL27173843 0.67 KDM4E (0.46) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL536179 0.66 HTT (0.62) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL8381593 0.66 CA12 (0.74) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL7604961 0.66 ACHE (0.50) KDM4ECA12CA9CA1CA2
SCHEMBL903067 0.66 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL9634001 0.65 HTT (0.61) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL15517040 0.65 GPR35 (0.57) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL5842967 0.65 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304139-B1 PROCESS FOR MAKING 5-HYDROXY-3-HYDROXYMETHYL-2-PHENYLFURAN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-11 EP claimed
EP-0304139-A1 Process for making 5-hydroxy-3-hydroxymethyl-2-phenylfuran derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP claimed
EP-0266980-B1 PHARMACEUTICAL COMPOSITIONS, COMPRISING A 2,4-DIPHENYL-1,3-DIOXANE DERIVATIVE AND AN INHIBITOR OF THROMBOXANE A2 SYNTHESIS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-28 EP disclosed
EP-0304138-B1 PROCESS FOR MAKING 1,3-DIOXANE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-04 EP disclosed
EP-0304139-B1 PROCESS FOR MAKING 5-HYDROXY-3-HYDROXYMETHYL-2-PHENYLFURAN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-11 EP disclosed
US-4925869-A REACTIVATING ENZYME ACETYLCHOLINESTERASE INHIBITED BY LETHAL DOSE OF SOMAN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
EP-0347184-A1 Manufacture of lactol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-12-20 EP disclosed
EP-0304139-A1 Process for making 5-hydroxy-3-hydroxymethyl-2-phenylfuran derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed
EP-0304138-A1 Process for making 1,3-dioxane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed
EP-0266980-A2 Pharmaceutical compositions, comprising a 2,4-diphenyl-1,3-dioxane derivative and an inhibitor of thromboxane A2 synthesis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0266979-A2 Therapeutic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed