SCHEMBL6780646

SCHEMBL6780646

C=Cc1ccc(OC(=O)OC(C)CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.39
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ESR1 P03372 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL6550801 0.84 MMP2 (0.43) MAPTTHRBTAS1R3TAS1R1CHRNB2
SCHEMBL5942346 0.83 ALDH1A1 (0.41) MAPTALDH1A1KDM4ELMNAGLA
SCHEMBL1790739 0.80 FAAH (0.43) MAPTALDH1A1HPGDESR1HIF1A
SCHEMBL6783264 0.79 MAPT (0.47) MAPTTAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL1790087 0.79 MAPT (0.51) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL2981112 0.79 MAPT (0.51) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL2988211 0.79 MAPT (0.51) MAPTALDH1A1LMNAGAAKMT2A
SCHEMBL410299 0.79 KMT2A (0.44) MAPTTHRBTAS1R3TAS1R1ALDH1A1
SCHEMBL12624377 0.78 TAS1R3 (0.42) MAPTTHRBTAS1R3TAS1R1CHRNB2
SCHEMBL12922588 0.78 TAS1R3 (0.47) MAPTTAS1R3TAS1R1ALDH1A1KDM4E

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
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
EP-0780732-B1 Polymer composition and resist material WAKO PURE CHEM IND LTD (JP) 2003-07-09 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed
US-5976759-A ALKALI SOLUBLE BY HEATING WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed
EP-0780732-A2 Polymer composition and resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1997-06-25 EP disclosed