SCHEMBL9245124

SCHEMBL9245124

CCN(CC)CCC1CCCN1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
OPRD1 P41143 1/20 0.34
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 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
SCHEMBL9246161 0.84 LTA4H (0.38) ALDH1A1L3MBTL1LTA4HS1PR1S1PR3
SCHEMBL9824048 0.82 S1PR1 (0.36) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL20585525 0.82 S1PR1 (0.43) ALDH1A1L3MBTL1LTA4HS1PR1S1PR3
SCHEMBL27799980 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL9824618 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL9678516 0.80 CYP1A2 (0.43) LTA4HOPRD1KMT2ACHRM2CHRM1
SCHEMBL499847 0.79 MEN1 (0.44) ALDH1A1L3MBTL1LTA4HRAB9ASMN1; SMN2
SCHEMBL18497371 0.78 POLB (0.40) L3MBTL1KMT2ATSHRPOLBCHRM2
SCHEMBL18497312 0.78 POLB (0.40) L3MBTL1KMT2ATSHRPOLBCHRM2
SCHEMBL18497313 0.78 POLB (0.40) L3MBTL1KMT2ATSHRPOLBCHRM2

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-0527427-B1 Catalysts and casting article, method, and composition MINNESOTA MINING & MFG (US) 1995-11-15 EP claimed