SCHEMBL11051641

SCHEMBL11051641

CC(C)CC(C(N)=O)(C(=O)O)N(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
OPRM1 P35372 2/20 0.35
KCNH2 Q12809 2/20 0.35
CACNA1F O60840 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP2B6 P20813 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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 0.83 ALDH1A1 (0.41) MAPTSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL11076701 0.78 HTT (0.49) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8217458 0.75 HPGD (0.46) ALDH1A1KCNH2OPRK1KMT2AMEN1
SCHEMBL11052732 0.74 KMT2A (0.46) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2170767 0.72 MAPT (0.37) MAPTSMN1; SMN2ALDH1A1GRIN2DGRIN1
SCHEMBL27693748 0.71 MAPT (0.38) MAPTSMN1; SMN2LMNAALDH1A1TP53
Lithium SCHEMBL7357936 0.69 GRM2 (0.30)
SCHEMBL7357927 0.69 GRM2 (0.30)
SCHEMBL4289552 0.68 MAPT (0.41) MAPTSMN1; SMN2LMNAALDH1A1TP53
SCHEMBL13740317 0.67 CHRM3 (0.58) MAPTSMN1; SMN2LMNAGAACYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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