SCHEMBL7569210

SCHEMBL7569210

CCC(C)C#CC(C)CC.C[Si](C)(C)C#Cc1ccccc1C#C[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CREBBP Q92793 1/20 0.31

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
SCHEMBL3839029 0.80 KDM4E (0.49) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4095370 0.72 CYP1A2 (0.41) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL13338092 0.71
SCHEMBL3892674 0.71 TSHR (0.46) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL10535351 0.70 TSHR (0.45) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL6535646 0.69 NPC1 (0.50) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL28773562 0.69 TSHR (0.46) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL11226493 0.69 KCNH2 (0.43) ALDH1A1HPGDTSHR
SCHEMBL28728194 0.69 KDM4E (0.42) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL31349196 0.69 TSHR (0.48) KDM4EMEN1ALDH1A1CYP1A2CYP3A4

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
EP-0916697-B1 Hydrosilylation catalysts and silicone compositions using the same SHINETSU CHEMICAL CO (JP) 2002-09-04 EP claimed