SCHEMBL8965765

SCHEMBL8965765

C=CC(=O)OCC(C)C(C)C(O)OC(=O)C=C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
THRB P10828 2/20 0.33
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL8965917 0.91 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494368 0.83 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7766445 0.83 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965841 0.82 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965923 0.79 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8966166 0.79 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27821519 0.78
SCHEMBL27800525 0.78
SCHEMBL33585 0.78
SCHEMBL8965496 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A

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