SCHEMBL19178115

SCHEMBL19178115

O=C(O)C(CCO)CC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.43
CPN1 P15169 2/20 0.43
LTA4H P09960 1/20 0.43
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
ATM Q13315 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 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
SCHEMBL19178114 1.00 CPB2 (0.43) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL8871986 0.86 CPN1 (0.50) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL19815424 0.84 CPN1 (0.46) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL19815425 0.84 CPN1 (0.46) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL15203782 0.84 CPN1 (0.48) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL5515416 0.83 SMN1; SMN2 (0.54) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL18050479 0.83 SMN1; SMN2 (0.54) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL1188893 0.82 CPN1 (0.47) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL6135596 0.82 CPN1 (0.47) CPB2CPN1LTA4HSLC1A3SLC1A2
SCHEMBL7382758 0.80 CA2 (0.53) LTA4HSLC1A3SLC1A2SLC1A1ALDH1A1

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-2376427-B1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-08-02 EP disclosed