SCHEMBL4079884

SCHEMBL4079884

C=Cc1ccc(-c2ccc([SiH2]CO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
HDAC2 Q92769 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL583978 0.75 ALDH1A1 (0.79) ALDH1A1TDP1TSHRHDAC2CHRNB2
SCHEMBL593791 0.75 ALDH1A1 (0.79) ALDH1A1TDP1TSHRHDAC2CHRNB2
SCHEMBL4079881 0.74 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHDAC2
SCHEMBL7518860 0.73 CA2 (0.46) ALDH1A1TDP1TSHRHDAC2MEN1
Water SCHEMBL7178879 0.72 ALDH1A1 (0.73) ALDH1A1TDP1TSHRHDAC2CHRNB2
SCHEMBL32670784 0.72 ALDH1A1 (0.55) ALDH1A1TDP1TSHRMEN1TP53
Ethylene Glycol SCHEMBL28139258 0.70 ALDH1A1 (0.69) ALDH1A1TDP1TSHRCHRNB2CHRNB4
SCHEMBL9651773 0.69 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCHRNB2CHRNB4
SCHEMBL164874 0.69 ALDH1A1 (0.58) ALDH1A1TDP1TSHRHDAC2HDAC8
SCHEMBL1231666 0.69 ALDH1A1 (0.58) ALDH1A1TDP1TSHRHDAC2MEN1

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
US-7569644-B2 Paint composition, process for producing transparent protective film using the same, and organic glass provided with transparent protective film KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2009-08-04 US disclosed
US-20050182226-A1 Paint composition, process for producing transparent protective film using the same, and organic glass provided with transparent protective film KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2005-08-18 US disclosed