SCHEMBL6813657

SCHEMBL6813657

COC=C1C(=O)COc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.46
MAOB P27338 10/20 0.45
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
ATM Q13315 2/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
HRH1 P35367 3/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL8647765 0.78 MAOB (0.45) MIFMAOBMAPTALDH1A1HPGD
SCHEMBL31339131 0.77 ALDH1A1 (0.56) MAOBMAPTALDH1A1ATMKDM4E
SCHEMBL30671756 0.76 TOP1 (0.47) MIFMAOBMAPTALDH1A1HPGD
SCHEMBL30671755 0.76 TOP1 (0.47) MIFMAOBMAPTALDH1A1HPGD
SCHEMBL26601353 0.76 MIF (0.50) MIFMAOBMAPTALDH1A1HPGD
SCHEMBL29800479 0.76 TOP1 (0.47) MIFMAOBMAPTALDH1A1HPGD
SCHEMBL711838 0.76 TOP1 (0.47) MIFMAOBMAPTALDH1A1HPGD
SCHEMBL14733192 0.76 TOP1 (0.47) MIFMAOBMAPTALDH1A1HPGD
SCHEMBL29391221 0.76 TOP1 (0.47) MIFMAOBMAPTALDH1A1HPGD
SCHEMBL16561703 0.76 TOP1 (0.47) MIFMAOBMAPTALDH1A1HPGD

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-1070692-B1 METHODS FOR HIGHLY SELECTIVELY O-ALKYLATING AMIDE COMPOUNDS WITH THE USE OF COPPER SALTS NIPPON SODA CO (JP) 2004-05-19 EP disclosed
US-6462195-B1 O-ALKYLATING A COMPOUND BY CONVERTING IT INTO THE COPPER SALT BY USING A MONOVALENT COPPER COMPOUND SUCH AS COPPER SUBOXIDE AND THEN REACTING IT WITH AN ALKYLATING AGENT HAVING A LEAVING GROUP IN THE PRESENCE OF A PHOSPHORUS COMPOUND NIPPON SODA CO., LTD. (JP) 2002-10-08 US disclosed
EP-0906265-B1 CHEMICAL PROCESS SYNGENTA LTD (GB) 2001-08-29 EP disclosed
EP-1070692-A1 METHODS FOR HIGHLY SELECTIVELY O-ALKYLATING AMIDE COMPOUNDS WITH THE USE OF COPPER SALTS NIPPON SODA CO., LTD. (JP) 2001-01-24 EP disclosed
US-6048998-A One-step process for preparing methyl 2-(halomethyl)phenylacetate from 3-isochromanone ZENECA LIMITED (GB) 2000-04-11 US disclosed
EP-0906265-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1999-04-07 EP disclosed
EP-0751941-B1 CHEMICAL INTERMEDIATES USEFUL IN AGRICULTURE ZENECA LTD (GB) 1998-09-16 EP disclosed
WO-1997048671-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1997-12-24 WO disclosed
US-5663370-A Chemical intermediates useful in agriculture ZENECA LIMITED (GB) 1997-09-02 US disclosed
EP-0751941-A1 CHEMICAL INTERMEDIATES USEFUL IN AGRICULTURE ZENECA LIMITED (GB) 1997-01-08 EP disclosed
WO-1995025729-A1 CHEMICAL INTERMEDIATES USEFUL IN AGRICULTURE ZENECA LIMITED (GB) 1995-09-28 WO disclosed