SCHEMBL5010686

SCHEMBL5010686

c1ccc([C](c2ccccc2)c2cccc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.48
BCAT2 O15382 1/20 0.42
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL5008857 0.96 HNF4A (0.48) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL5010723 0.90 HNF4A (0.53) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL4870791 0.83 BCAT2 (0.54) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL4071673 0.82 HNF4A (0.47) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL11591876 0.81 HNF4A (0.46) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL2333980 0.81 ALDH1A1 (0.56) HNF4ABCAT2ALDH1A1HPGDMEN1
SCHEMBL30618783 0.81 ALDH1A1 (0.56) HNF4ABCAT2ALDH1A1HPGDMEN1
Thiobenzoic Acid SCHEMBL7573638 0.79 HNF4A (0.44) HNF4ABCAT2ALDH1A1HSD17B10HPGD
SCHEMBL3806469 0.79 HNF4A (0.53) HNF4ABCAT2ALDH1A1HDAC4HDAC2
SCHEMBL5008845 0.79 BCAT2 (0.54) HNF4ABCAT2ALDH1A1HSD17B10HPGD

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed