SCHEMBL9752484

SCHEMBL9752484

C=CCCCCOOC(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9752692 0.94 TSHR (0.39) TSHRLPAR3LPAR2ALDH1A1TDP1
SCHEMBL9752478 0.86 TSHR (0.35) TSHRALDH1A1TDP1
SCHEMBL20448113 0.83 TSHR (0.41) TSHRALDH1A1TDP1
SCHEMBL7936182 0.82 TSHR (0.39) TSHRLPAR3LPAR2ALDH1A1LMNA
SCHEMBL28550729 0.81 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL7801141 0.79 TSHR (0.41) TSHRALDH1A1TDP1
SCHEMBL30251809 0.77 TSHR (0.36) TSHRLPAR3LPAR2ALDH1A1TDP1
SCHEMBL15521029 0.76 TSHR (0.37) TSHRLPAR3LPAR2ALDH1A1LMNA
SCHEMBL8765078 0.75 TSHR (0.35) TSHRALDH1A1TDP1
SCHEMBL6904052 0.75 LPAR3 (0.39) TSHRLPAR3LPAR2ALDH1A1TDP1

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
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO claimed
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed