SCHEMBL5140675

SCHEMBL5140675

C=CC(=O)OP(=O)(O)OC(=C)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 2/20 0.31

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
SCHEMBL8495295 0.82 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1116660 0.77 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4246792 0.74 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2140468 0.74 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27495477 0.74 TSHR (0.34) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3886081 0.73
SCHEMBL27386357 0.72 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27838663 0.72 TSHR (0.33) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27832019 0.71 TSHR (0.35) TSHRHPGD
SCHEMBL27507990 0.71 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4THRB

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
US-20080045622-A1 Photocurable Fixture for Orthopedic Surgery ALCARE CO., LTD. (JP) 2008-02-21 US disclosed