SCHEMBL11063804

SCHEMBL11063804

CCCC=C(C(=O)O)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCAT2 O15382 1/20 0.46
GPR52 Q9Y2T5 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SCN1A P35498 3/20 0.43
SCN2A Q99250 3/20 0.43
SCN3A Q9NY46 3/20 0.43
KDM2B Q8NHM5 1/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
LMNA P02545 1/20 0.42
HNF4A P41235 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL11063799 1.00 MEN1 (0.46) MEN1KMT2ASMN1; SMN2BCAT2GPR52
SCHEMBL10949032 0.80 BCAT2 (0.55) MEN1KMT2ASMN1; SMN2BCAT2GPR52
SCHEMBL10949037 0.80 BCAT2 (0.55) MEN1KMT2ASMN1; SMN2BCAT2GPR52
SCHEMBL2109360 0.78 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6259485 0.76 AKR1C1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8041704 0.76 AKR1C1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8041709 0.76 AKR1C1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5421617 0.75 BCAT2 (0.53) MEN1KMT2ASMN1; SMN2BCAT2GPR52
SCHEMBL27992488 0.75 CA9 (0.41) MEN1KMT2ASMN1; SMN2BCAT2ALDH1A1
SCHEMBL28474385 0.74 MEN1 (0.49) MEN1KMT2ASMN1; SMN2BCAT2GPR52

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-4536515-A Substituted phenylalkenoic acids and esters MERCK FROSST CANADA, INC. (CA) 1985-08-20 US disclosed