SCHEMBL13614190

SCHEMBL13614190

CC(O)CCC(C)Oc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
MMP2 P08253 3/20 0.40
MMP3 P08254 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
MAOB P27338 1/20 0.38
SCN9A Q15858 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
RAB9A P51151 1/20 0.36
MGLL Q99685 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL8436335 0.81 MAPT (0.49) ALDH1A1HPGDMAPTMMP2MMP3
SCHEMBL9253874 0.81 ALDH1A1 (0.50) ALDH1A1HPGDGAASMN1; SMN2MMP2
SCHEMBL9871755 0.80 GAA (0.43) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL11760865 0.80 HRH3 (0.40) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL10701283 0.79 ALDH1A1 (0.54) ALDH1A1HPGDMAPTMMP2MMP3
SCHEMBL1445330 0.79 ACACB (0.47) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL25801725 0.79 ACACB (0.47) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL25801724 0.79 ACACB (0.47) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL7697419 0.79 ALDH1A1 (0.48) ALDH1A1HPGDMMP2MMP3HRH3
SCHEMBL22630852 0.78 GAA (0.43) ALDH1A1HPGDGAASMN1; SMN2MAPT

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
EP-1896397-B1 PROCESS FOR PRODUCING ETHERS WARNER LAMBERT CO (US) 2009-11-04 EP disclosed