SCHEMBL5202513

SCHEMBL5202513

C=C(C)COC(C)[N+](C)(C)C.C=CC(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.38
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 2/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5202522 0.82 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11810623 0.78 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
Isobutane SCHEMBL28280147 0.78 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL3195579 0.78 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL6463318 0.76 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
Isopropyl Alcohol SCHEMBL1101251 0.76 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
Hydrogen Sulfide SCHEMBL11505426 0.76 TSHR (0.92) TSHRHPGDALDH1A1CYP3A4ATM
Acetone SCHEMBL9319476 0.76 TSHR (0.92) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5681395 0.76 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL15037 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613482-B1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK CO (US) 2007-08-22 EP claimed
US-20060210730-A1 Inkjet recording element comprising particles and polymers EASTMAN KODAK COMPANY 2006-09-21 US claimed
EP-1613482-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2006-01-11 EP claimed
WO-2004094158-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2004-11-04 WO claimed
EP-1613482-B1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK CO (US) 2007-08-22 EP disclosed
US-20060210730-A1 Inkjet recording element comprising particles and polymers EASTMAN KODAK COMPANY 2006-09-21 US disclosed
EP-1613482-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2006-01-11 EP disclosed
WO-2004094158-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2004-11-04 WO disclosed