SCHEMBL5013863

SCHEMBL5013863

C[C](c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
BCL2L1 Q07817 1/20 0.48
HNF4A P41235 1/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
BACE1 P56817 1/20 0.44
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL5013839 0.89 MEN1 (0.50) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL3043485 0.85 BCAT2 (0.56) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27454369 0.85 BCAT2 (0.56) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5010126 0.82 HNF4A (0.50) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL1588207 0.81 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL294730 0.81 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL19802952 0.81 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL31125227 0.81 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5786817 0.80 ALDH1A1 (0.51) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL14471686 0.79 BCAT2 (0.60) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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