SCHEMBL9501016

SCHEMBL9501016

C=CC(=O)OCCCC.C=CC(=O)OCCOCC.C=COC(=O)C(Cl)C=CC#N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 3/20 0.37
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 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
SCHEMBL9311861 0.80 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Acrylonitrile SCHEMBL9419944 0.80 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20787955 0.77 TSHR (0.76) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10703473 0.74 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28068770 0.73 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
Acrylonitrile SCHEMBL2146545 0.72 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Acrylonitrile SCHEMBL5833833 0.72 TSHR (0.79) TSHRHPGDALDH1A1TP53HIF1A
Ether SCHEMBL15941530 0.72 TSHR (0.85) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27608864 0.72 TSHR (0.85) TSHRHPGDALDH1A1TP53HIF1A
Acrylic Acid Ethyl Ester SCHEMBL1091906 0.71 TSHR (0.71) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296890-B1 HOSES THE YOKOHAMA RUBBER CO., LTD. (JP) 1993-04-28 EP disclosed
US-5158113-A Heavy-duty hose having a multi-layered core tube THE YOKOHAMA RUBBER CO., LTD. 1992-10-27 US disclosed
EP-0296890-A2 Hoses THE YOKOHAMA RUBBER CO., LTD. (JP) 1988-12-28 EP disclosed