SCHEMBL5237250

SCHEMBL5237250

CC(=O)OCCCC1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
NAAA Q02083 6/20 0.42
ACP1 P24666 1/20 0.41
CPN1 P15169 1/20 0.40
CPB2 Q96IY4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
EPHX1 P07099 2/20 0.37

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
SCHEMBL5234710 0.95 NAAA (0.44) KMT2ANAAAACP1CPN1CPB2
SCHEMBL1839983 0.94 NAAA (0.46) KMT2ANAAAACP1CPN1CPB2
SCHEMBL9732440 0.90 KMT2A (0.46) KMT2ANAAAACP1CPN1CPB2
SCHEMBL29068162 0.90 KMT2A (0.46) KMT2ANAAAACP1CPN1CPB2
SCHEMBL5237332 0.85 CHRNB2 (0.41) KMT2ANAAAACP1CPN1CPB2
SCHEMBL5232032 0.85 CHRNB2 (0.41) KMT2ANAAAACP1CPN1CPB2
SCHEMBL28759826 0.84 KMT2A (0.41) KMT2ANAAACPN1CPB2SMN1; SMN2
SCHEMBL13034075 0.81 SMN1; SMN2 (0.54) NAAASMN1; SMN2ALDH1A1EPHX1
SCHEMBL1575095 0.80 ALDH1A1 (0.44) NAAASMN1; SMN2ALDH1A1EPHX1
SCHEMBL27271782 0.80 CHRNB2 (0.50) KMT2ACPN1CPB2SMN1; SMN2CHRNB2

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-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed