SCHEMBL2883665

SCHEMBL2883665

C=CC(=O)OCCC1(CCCC)COC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.39
THRB P10828 3/20 0.38
HCAR2 Q8TDS4 3/20 0.35
PRKCA P17252 3/20 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
SCHEMBL2883250 0.91 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2885589 0.87 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1357080 0.86 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21385223 0.82 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL8020999 0.81 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL798095 0.81 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2884050 0.79 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2880741 0.79 TSHR (0.53) TSHRHPGDALDH1A1THRBPRKCA
SCHEMBL2883942 0.77 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL15458137 0.77 TSHR (0.35) TSHRHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759451-B2 Fumaric diester copolymer TOSOH CORPORATION (JP) 2010-07-20 US disclosed
US-20070298247-A1 Fumaric diester copolymer TOSOH CORPORATION (JP) 2007-12-27 US disclosed