SCHEMBL8468010

SCHEMBL8468010

CCCCC(COCCO)OC(CCCC)COCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.39
PLA2G2C Q5R387 1/20 0.38
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LPAR6 P43657 3/20 0.35
LPAR1 Q92633 3/20 0.35
LPAR4 Q99677 3/20 0.35
LPAR5 Q9H1C0 3/20 0.35
LPAR2 Q9HBW0 3/20 0.35

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
SCHEMBL490907 0.92 HTT (0.53) TSHRHTTMEN1KMT2ATHRB
SCHEMBL16161494 0.89 MEN1 (0.60) TSHRHTTMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL4421030 0.86 TSHR (0.56) TSHRHTTMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL4434394 0.86 TSHR (0.56) TSHRHTTMEN1KMT2ATHRB
SCHEMBL27602642 0.86 TSHR (0.50) TSHRHTTMEN1KMT2ATHRB
SCHEMBL25208586 0.86 TSHR (0.50) TSHRHTTMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL5141986 0.86 TSHR (0.56) TSHRHTTMEN1KMT2ATHRB
Triethylene Glycol SCHEMBL25303573 0.84 TSHR (0.54) TSHRHTTMEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL5142109 0.84 MEN1 (0.59) TSHRHTTMEN1KMT2ATHRB
SCHEMBL4798530 0.84 TSHR (0.48) TSHRHTTMEN1KMT2ATHRB

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
US-5959001-A LOW VISCOSITY; MIXTURE CONTAINING PIGMENT, PASTE-MAKING AGENT, AMINE OR SALT, ADDITION HOMO- OR COPOLYMER BAYER AKTIENGESELLSCHAFT (DE) 1999-09-28 US claimed
US-5773513-A WATER SOLUBLE COATING E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-30 US disclosed
WO-1995032255-A1 WATERBORNE LACQUERS COMPRISING SELF-STABILIZED LATTICES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-11-30 WO disclosed
WO-1995032228-A1 WATERBORNE COATINGS COMPRISING SELF-STABILIZED LATTICES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-11-30 WO disclosed