SCHEMBL11522893

SCHEMBL11522893

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CES1 P23141 4/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MLYCD O95822 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 2/20 0.35
SRC P12931 1/20 0.35
ALOX15 P16050 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNA3 P22001 1/20 0.33
OPRM1 P35372 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL14932471 0.82 CES1 (0.44) MAPTALDH1A1CES1SMN1; SMN2CES2
SCHEMBL7911425 0.81 CES1 (0.49) MAPTALDH1A1CES1KMT2AMEN1
SCHEMBL5574740 0.81 CES1 (0.49) MAPTALDH1A1CES1KMT2AMEN1
SCHEMBL14932474 0.80 CES1 (0.42) MAPTALDH1A1CES1KMT2AMEN1
Ether SCHEMBL11315900 0.78 ALDH1A1 (0.41) MAPTALDH1A1CES1KMT2AMEN1
SCHEMBL8663297 0.77 CES1 (0.43) MAPTALDH1A1CES1CES2SRC
SCHEMBL9342063 0.76 CES1 (0.39) MAPTALDH1A1CES1KMT2AMEN1
SCHEMBL11590007 0.76 CES1 (0.42) MAPTALDH1A1CES1KMT2AMEN1
Methoxymethane SCHEMBL11307133 0.76 CES1 (0.47) MAPTALDH1A1CES1KMT2AMEN1
SCHEMBL9346138 0.75 CETP (0.39) ALDH1A1CES1KMT2AMEN1SMN1; SMN2

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-4162274-A Crosslinkable urethane resins containing vinyl and carboxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US disclosed