SCHEMBL11076701

SCHEMBL11076701

C=CCC(C(N)=O)(C(=O)O)N(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.44
TSHR P16473 4/20 0.44
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ESR1 P03372 1/20 0.31

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
SCHEMBL11052172 0.81 ALDH1A1 (0.41) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL11051641 0.78 MAPT (0.40) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL3964617 0.70 HTT (0.51) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL11052732 0.69 KMT2A (0.46) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL2927687 0.66 ALDH1A1 (0.62) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL7167864 0.66 HTT (0.69) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL14850480 0.66 ALDH1A1 (0.62) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL3809666 0.66 ALDH1A1 (0.45) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL11002532 0.66 ALDH1A1 (0.45) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL14877315 0.66 ALDH1A1 (0.45) HTTALDH1A1TSHRKMT2AMEN1

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-4443474-A ANTICONVULSANT, ADMINISTERING BUFFALO COLOR CORPORATION (US) 1984-04-17 US disclosed