SCHEMBL8965841

SCHEMBL8965841

C=CC(=O)OCC(C)C(C)COC(=O)C=C

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.75
HPGD P15428 2/20 0.48
ALDH1A1 P00352 7/20 0.48
CYP3A4 P08684 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 3/20 0.40
USP2 O75604 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 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
SCHEMBL23494207 0.92 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7766445 0.91 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10494112 0.89 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL23493960 0.88 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL23494368 0.87 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL8965923 0.87 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL16448 0.86
SCHEMBL8965855 0.86 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL33585 0.86
SCHEMBL27800525 0.86

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-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed