SCHEMBL9060376

SCHEMBL9060376

O=C(CC1CCCCN1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
POLB P06746 1/20 0.55
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LTA4H P09960 7/20 0.48
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL9038558 0.96 GLA (0.60) GLAPOLBALDH1A1MAPK1L3MBTL1
Trifluoroacetic Acid SCHEMBL9037494 0.89 GLA (0.53) GLAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL20224958 0.84 POLB (0.50) GLAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL2465636 0.82 GLA (0.51) GLAALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL11063204 0.82 GLA (0.48) GLAPOLBALDH1A1MAPK1L3MBTL1
SCHEMBL1779921 0.81 POLB (0.46) POLBALDH1A1L3MBTL1LTA4HKMT2A
SCHEMBL1779920 0.81 POLB (0.46) POLBALDH1A1L3MBTL1LTA4HKMT2A
SCHEMBL3393626 0.81 GLA (0.62) GLAALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL21041192 0.80 ALDH1A1 (0.54) POLBALDH1A1LTA4HKMT2A
SCHEMBL28351994 0.80 ALDH1A1 (0.54) POLBALDH1A1LTA4HKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8333339-A None JP disclosed
JP-H08333339-A PRODUCTION OF OPTICALLY ACTIVE PIPERIDINEACETIC ACID DERIVATIVE FUJISAWA PHARMACEUT CO LTD 1996-12-17 JP disclosed