SCHEMBL8977231

SCHEMBL8977231

C=CCOC(=O)C1=CCC1.C=COC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
RHOA P61586 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SNCA P37840 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL15569977 0.88 TSHR (0.36) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL461106 0.87 CYP3A4 (0.52) CYP3A4ALDH1A1HSD17B10TSHRRHOA
Methacrylic Acid SCHEMBL459214 0.84 CYP3A4 (0.42) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL2050494 0.82 CYP3A4 (0.41) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL4912283 0.82 ALDH1A1 (0.41) CYP3A4ALDH1A1HSD17B10TSHRTP53
SCHEMBL15569637 0.81 PTPN1 (0.41) LMNA
Acrylic Acid SCHEMBL459310 0.81 CYP3A4 (0.46) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL5184261 0.80 CYP3A4 (0.45) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL633671 0.80 ALDH1A1 (0.42) CYP3A4ALDH1A1TP53
SCHEMBL5668348 0.78 TSHR (0.40) TSHRLMNA

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
EP-0617715-B1 UTILIZATION OF AQUEOUS BINDER COMPOSITIONS FOR THE LAMINATION OF CELLULOSE-TISSUE WACKER CHEMIE GMBH (DE) 1996-04-17 EP claimed
US-5508100-A BINDING TWO OR MORE LAYERS OF CELLULAR PULP OR CELLULOSE FIBER TISSUES BY APPLYING BINDER CONSISTING OF PLASTIC DISPERSION BASED ON COPOLYMER OR TERPOLYMER, FILLERS, THICKENERS, DISPERSING AGENTS; AFFIXING AND DRYING WACKER-CHEMIE GMBH (DE) 1996-04-16 US claimed
US-5508100-A BINDING TWO OR MORE LAYERS OF CELLULAR PULP OR CELLULOSE FIBER TISSUES BY APPLYING BINDER CONSISTING OF PLASTIC DISPERSION BASED ON COPOLYMER OR TERPOLYMER, FILLERS, THICKENERS, DISPERSING AGENTS; AFFIXING AND DRYING WACKER-CHEMIE GMBH (DE) 1996-04-16 US disclosed
US-5508100-A BINDING TWO OR MORE LAYERS OF CELLULAR PULP OR CELLULOSE FIBER TISSUES BY APPLYING BINDER CONSISTING OF PLASTIC DISPERSION BASED ON COPOLYMER OR TERPOLYMER, FILLERS, THICKENERS, DISPERSING AGENTS; AFFIXING AND DRYING WACKER-CHEMIE GMBH (DE) 1996-04-16 US disclosed