SCHEMBL8576465

SCHEMBL8576465

CC(=O)Nc1ccc2ccc(OC(C)=O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ GLA P06280 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TNNI3 P19429 1/20 0.50
▸ TNNT2 P45379 1/20 0.50
▸ TNNC1 P63316 1/20 0.50
▸ RUNX1 Q01196 1/20 0.50
▸ CBFB Q13951 1/20 0.50
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48

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
SCHEMBL8577395 0.97 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL8576078 0.84 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL29705954 0.84 CA12 (0.61) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL5352558 0.84 CA12 (0.61) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL8577441 0.82 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL8027073 0.81 MTNR1A (0.63) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL67475 0.81 TDP1 (0.49) MEN1KMT2AKDM4EALDH1A1GLA
Diacetamate SCHEMBL863106 0.81 KMT2A (0.81) MEN1KMT2AALDH1A1GAAHSD17B10
SCHEMBL3974361 0.80 CA12 (0.65) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL30595409 0.80 CA12 (0.65) MEN1KMT2AKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998014501-A1 PROCESS FOR THE PREPARATION OF THERMOTROPIC AROMATIC POLYESTERS DIRECTLY FROM DIALKYL AROMATIC ESTERS HOECHST CELANESE CORPORATION (US) 1998-04-09 — — WO claimed
US-5731401-A ONE STEP; HIGH MOLECULAR WEIGHT HOECHST CELANESE CORP. (US) 1998-03-24 — — US claimed
WO-1998014501-A1 PROCESS FOR THE PREPARATION OF THERMOTROPIC AROMATIC POLYESTERS DIRECTLY FROM DIALKYL AROMATIC ESTERS HOECHST CELANESE CORPORATION (US) 1998-04-09 — — WO disclosed
US-5731401-A ONE STEP; HIGH MOLECULAR WEIGHT HOECHST CELANESE CORP. (US) 1998-03-24 — — US disclosed
Send feedback