SCHEMBL2780028

SCHEMBL2780028

C=C(C)C(=O)OCC(O)CCCCCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
ALDH1A1 P00352 4/20 0.43
USP2 O75604 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.36
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2781184 1.00 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL2781460 0.95 TSHR (0.61) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL11232229 0.91 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL11057945 0.87 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL2763770 0.87 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL2763347 0.87 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL2765415 0.87 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL2764223 0.87 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL31265162 0.87 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL27581342 0.87 TSHR (0.59) TSHRALDH1A1USP2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010021476-A2 PHOTOPOLYMERIZABLE OLIGOMER, PHOTOPOLYMERIZABLE RESIN COMPOSITION CONTAINING THE SAME, AND OPTICAL FIBER 에스에스씨피 주식회사 (KR) 2010-02-25 WO disclosed