SCHEMBL4953808

SCHEMBL4953808

O=C(O)/C=C/C(=O)OC(OC12CC3CC(CC(C3)C1)C2)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
CYP2C9 P11712 1/20 0.49
HCAR2 Q8TDS4 5/20 0.43
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.32
CYP17A1 P05093 2/20 0.30
CYP19A1 P11511 2/20 0.30
TSHR P16473 2/20 0.30
TP53 P04637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 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
SCHEMBL4953828 1.00 THRB (0.49) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL4953814 0.95 THRB (0.40) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL27533433 0.79 THRB (0.55) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL9274205 0.79 THRB (0.55) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL9274202 0.79 THRB (0.55) THRBCYP2C9HCAR2ATMALDH1A1
SCHEMBL4953819 0.72 HCAR2 (0.46) THRBCYP2C9HCAR2ATMTSHR
SCHEMBL7536676 0.70 THRB (0.44) THRBCYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL2307504 0.70 THRB (0.44) THRBCYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL9274200 0.70 THRB (0.44) THRBCYP2C9ALDH1A1SMN1; SMN2LMNA
SCHEMBL7538695 0.70 HCAR2 (0.47) THRBCYP2C9HCAR2ALDH1A1SMN1; SMN2

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-20080081287-A1 Chemically amplified resist material and pattern formation method using the same PANASONIC CORPORATION (JP) 2008-04-03 US disclosed