SCHEMBL17847144

SCHEMBL17847144

C#CC(C)C(Cl)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
ATM Q13315 2/20 0.54
HSP90AA1 P07900 2/20 0.51
GPR55 Q9Y2T6 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.46
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL10572607 0.81 MAPT (0.62) MAPTALDH1A1LMNAGAAATM
SCHEMBL5940992 0.79 ALDH1A1 (0.56) MAPTALDH1A1LMNAGAAATM
SCHEMBL2516508 0.77 ALDH1A1 (0.67) MAPTALDH1A1LMNAGAAATM
SCHEMBL12724392 0.77 ALDH1A1 (0.57) MAPTALDH1A1LMNAGAAATM
Water SCHEMBL27691964 0.75 ALDH1A1 (0.65) MAPTALDH1A1LMNAGAAATM
SCHEMBL10700016 0.75 MAPT (0.51) MAPTALDH1A1LMNAGAAATM
SCHEMBL10778948 0.74 POLB (0.53) MAPTALDH1A1LMNAGAAATM
SCHEMBL11301646 0.73 MEN1 (0.54) MAPTALDH1A1LMNAGAAATM
SCHEMBL9886 0.73 ALDH1A1 (0.85) MAPTALDH1A1LMNAGAAATM
SCHEMBL4296111 0.73 MAPT (0.85) MAPTALDH1A1LMNAGAAATM

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
EP-3233800-A2 LIGAND COMPONENTS, ASSOCIATED REACTION PRODUCTS, ACTIVATED REACTION PRODUCTS, HYDROSILYLATION CATALYSTS AND HYDROSILYLATION CURABLE COMPOSITIONS INCLUDING THE LIGAND COMPONENTS, AND ASSOCIATED METHODS FOR PREPARING SAME Dow Corning Corporation (US) 2017-10-25 EP disclosed
WO-2016099727-A2 LIGAND COMPONENTS, ASSOCIATED REACTION PRODUCTS, ACTIVATED REACTION PRODUCTS, HYDROSILYLATION CATALYSTS AND HYDROSILYLATION CURABLE COMPOSITIONS INCLUDING THE LIGAND COMPONENTS, AND ASSOCIATED METHODS FOR PREPARING SAME DOW CORNING CORPORATION (US) 2016-06-23 WO disclosed