SCHEMBL10949032

SCHEMBL10949032

C/C=C(/C(=O)O)c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CHRNB2 P17787 3/20 0.49
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
CHRNA4 P43681 3/20 0.49
HNF4A P41235 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
GPR52 Q9Y2T5 1/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 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
SCHEMBL10949037 1.00 BCAT2 (0.55) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5421617 0.83 BCAT2 (0.53) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28474385 0.82 MEN1 (0.49) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL8617259 0.82 GAA (0.49) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11063799 0.80 MEN1 (0.46) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11063804 0.80 MEN1 (0.46) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27927199 0.79 BCAT2 (0.49) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5172986 0.78 ALDH1A1 (0.61) KMT2ASMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL29117664 0.78 SLC6A3 (0.46) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Propene SCHEMBL29138948 0.77 HNF4A (0.56) 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-4537906-A Substituted phenylalkenoic acids and esters MERCK FROSST CANADA, INC. (CA) 1985-08-27 US disclosed