SCHEMBL2258396

SCHEMBL2258396

NC(=O)OCC(O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
CYP1A2 P05177 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2D6 P10635 1/20 0.53
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.51
DPP4 P27487 1/20 0.48
MMP12 P39900 3/20 0.47
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
LPAR1 Q92633 3/20 0.43

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
SCHEMBL27770739 0.83 LMNA (0.56) LMNACYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL16476537 0.83 CYP1A2 (0.56) LMNACYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL375857 0.83 CYP1A2 (0.56) LMNACYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL10061317 0.80 THRB (0.49) SMN1; SMN2DPP4MMP12MMP13MMP2
SCHEMBL15269483 0.80 ADRB2 (0.49) SMN1; SMN2DPP4MMP12MMP13MMP2
SCHEMBL15269481 0.80 ADRB2 (0.49) SMN1; SMN2DPP4MMP12MMP13MMP2
SCHEMBL15269485 0.80 ADRB2 (0.49) SMN1; SMN2DPP4MMP12MMP13MMP2
SCHEMBL28625596 0.79 CA1 (0.58) LMNACYP1A2SMN1; SMN2CYP2D6PKM
SCHEMBL28625595 0.79 CA1 (0.58) LMNACYP1A2SMN1; SMN2CYP2D6PKM
Trifluoroacetic Acid SCHEMBL28688144 0.76 LMNA (0.48) LMNACYP1A2SMN1; SMN2CYP2D6PKM

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-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed