SCHEMBL9727769

SCHEMBL9727769

C=CCC(C)(C)C.CC(C)(C)OC(=O)C=CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.40
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTT P42858 1/20 0.30
PRKCA P17252 3/20 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
SCHEMBL642105 0.83 HCAR2 (0.54) HCAR2MAPTTSHRTP53EGLN1
SCHEMBL642104 0.83 HCAR2 (0.54) HCAR2MAPTTSHRTP53EGLN1
SCHEMBL1964699 0.83 HCAR2 (0.54) HCAR2MAPTTSHRTP53EGLN1
SCHEMBL9860304 0.82 HCAR2 (0.42) HCAR2MAPTTSHRTP53EGLN1
SCHEMBL9860300 0.82 HCAR2 (0.42) HCAR2MAPTTSHRTP53EGLN1
SCHEMBL9861015 0.82 HCAR2 (0.42) HCAR2MAPTTSHRTP53EGLN1
SCHEMBL8405431 0.82 HCAR2 (0.45) HCAR2MAPTTSHRTP53EGLN1
SCHEMBL8405432 0.82 HCAR2 (0.45) HCAR2MAPTTSHRTP53EGLN1
Propane SCHEMBL7780510 0.81 HCAR2 (0.54) HCAR2MAPTTSHRTP53EGLN1
Methane SCHEMBL9860828 0.81 HCAR2 (0.52) HCAR2MAPTTSHRTP53EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140013-A Shelf life; polymerization inhibition; nontoxic; side effects reduction UNIVERSITE LAVAL (CA) 1992-08-18 US disclosed
WO-1991008775-A2 MALEIC ANHYDRIDE DERIVATIVES USED AS CONJUGATION AGENTS OF ANTI-TUMOR AGENTS ON DESIRED CARRIERS UNIVERSITE LAVAL (CA) 1991-06-27 WO disclosed