SCHEMBL7054325

SCHEMBL7054325

O=C1C=C(NCCc2ccccc2)CCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
TAAR1 Q96RJ0 3/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ELANE P08246 1/20 0.41
RAB9A P51151 1/20 0.41
NSD2 O96028 1/20 0.41
HSP90AA1 P07900 1/20 0.41
G6PD P11413 1/20 0.41
CCR6 P51684 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
GRIN2B Q13224 1/20 0.41
MT-CO2 P00403 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28913999 0.90 POLB (0.57) POLBTAAR1PKMMAPK1ALDH1A1
SCHEMBL9544841 0.83 POLB (1.00) POLBPKMMAPK1ALDH1A1L3MBTL1
SCHEMBL12869177 0.80 POLB (0.61) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL17228373 0.74 POLB (0.59) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL12869192 0.74 POLB (0.83) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL9433553 0.73 L3MBTL1 (0.47) TAAR1PKMMAPK1ALDH1A1L3MBTL1
SCHEMBL19296900 0.73 LMNA (0.67) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8321902 0.73 POLB (0.81) POLBMAPK1ALDH1A1L3MBTL1MEN1
SCHEMBL9609548 0.73 POLB (0.51) POLBMAPK1ALDH1A1L3MBTL1MEN1
SCHEMBL2033213 0.70 MT-CO2 (0.69) POLBMAPK1ALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307429-A1 PROCESS FOR ASYMMETRIC SYNTHESIS OF SUBSTITUTED 1,4-DIHYDROPYRIDINES AstraZeneca AB (SE) 2003-05-07 EP disclosed
EP-1307420-A1 PROCESS FOR SYNTHESIS OF $g(a),$g(b)-UNSATURATED KETONES AstraZeneca AB (SE) 2003-05-07 EP disclosed
WO-2002010134-A1 PROCESS FOR ASYMMETRIC SYNTHESIS OF SUBSTITUTED 1,4-DIHYDROPYRIDINES ASTRAZENECA AB (SE) 2002-02-07 WO disclosed
WO-2002010103-A1 PROCESS FOR SYNTHESIS OF α,β-UNSATURATED KETONES ASTRAZENECA AB (SE) 2002-02-07 WO disclosed