SCHEMBL3293160

SCHEMBL3293160

COC(=O)/C(=C(/C(=O)OC(C)C)C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ADRA1A P35348 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29220140 0.90 TSHR (0.48) TSHRADRA1APDE4DSMN1; SMN2GAA
SCHEMBL10011724 0.87 ALDH1A1 (0.41) TSHRSMN1; SMN2ALDH1A1CYP2D6CYP2C19
SCHEMBL10011723 0.87 ALDH1A1 (0.41) TSHRSMN1; SMN2ALDH1A1CYP2D6CYP2C19
SCHEMBL27844558 0.81 TSHR (0.40) TSHRADRA1APDE4DSMN1; SMN2GAA
SCHEMBL12265742 0.79 TSHR (0.48) TSHRADRA1APDE4DSMN1; SMN2GAA
SCHEMBL12020274 0.78 TSHR (0.42) TSHRADRA1APDE4DSMN1; SMN2GAA
SCHEMBL27948179 0.78 TSHR (0.48) TSHRADRA1APDE4DSMN1; SMN2GAA
SCHEMBL28027092 0.76 TSHR (0.46) TSHRADRA1APDE4DSMN1; SMN2GAA
SCHEMBL3293163 0.76 TSHR (0.46) TSHRADRA1APDE4DSMN1; SMN2GAA
SCHEMBL28808867 0.75 ALDH1A1 (0.42) TSHRSMN1; SMN2GAAALDH1A1

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-7736634-B2 Process for the preparation of polyorganosilylated carboxylate monomers or polymers thereof SIGMA COATINGS B.V. (NL) 2010-06-15 US claimed