SCHEMBL9418728

SCHEMBL9418728

CC(C)CN[Si](NCC(C)C)(NCC(C)C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
ESR1 P03372 2/20 0.37
ACP1 P24666 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
AOC3 Q16853 1/20 0.36
APAF1 O14727 1/20 0.35
HPGD P15428 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SMPD1 P17405 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL233708 0.77 KCNN4 (0.39) ALDH1A1MAPTESR1HPGDLMNA
SCHEMBL9651955 0.68 MAPT (0.42) ALDH1A1MAPTACP1HPGD
SCHEMBL10791919 0.67 SIGMAR1 (0.47) ALDH1A1MAPTHPGD
SCHEMBL2100303 0.67 KCNN4 (0.35) ALDH1A1MAPTESR1TAAR1HPGD
SCHEMBL5228652 0.67 APAF1 (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL26217022 0.67 APAF1 (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5227140 0.67 APAF1 (0.63) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL2100879 0.66 TSHR (0.41) ALDH1A1MAPTESR1TAAR1HPGD
SCHEMBL10709532 0.65 NAAA (0.46) ALDH1A1MAPT
SCHEMBL182877 0.65 MAPT (0.52) ALDH1A1MEN1MAPTKMT2AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387157-B1 Aqueous silicone dispersion which contains an aminosilane and/or an amidosilane, is curable into an elastomer by the elimination of water RHONE POULENC CHIMIE (FR) 1994-07-27 EP disclosed
US-5140061-A Storage stability; adhesion to substrates, e.g.glass, concrete and metals; coatings for use with drugs and agriculture; seals RHONE-POULENC CHIMIE (FR) 1992-08-18 US disclosed
EP-0387157-A1 Aqueous silicone dispersion which contains an aminosilane and/or an amidosilane, is curable into an elastomer by the elimination of water RHONE-POULENC CHIMIE (FR) 1990-09-12 EP disclosed