SCHEMBL7923893

SCHEMBL7923893

NC(=O)CCCOc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
NR5A1 Q13285 1/20 0.53
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
PARP10 Q53GL7 1/20 0.46
ESR1 P03372 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL17122910 0.92 LTA4H (0.48) LTA4HNR5A1PARP10ESR1L3MBTL1
SCHEMBL1271045 0.84 ESR1 (0.59) LTA4HNR5A1ESR1L3MBTL1
SCHEMBL6851369 0.82 KMT2A (0.58)
SCHEMBL30530685 0.82 KDM4E (0.53) LTA4HPARP10
SCHEMBL6850906 0.82 L3MBTL1 (0.65) DRD2DRD4DRD3PARP10L3MBTL1
SCHEMBL7917839 0.82 MAPT (0.61) PARP10L3MBTL1
SCHEMBL1326062 0.82 PARP10 (0.61) LTA4HPARP10L3MBTL1
SCHEMBL9453956 0.81 NR5A1 (0.51) LTA4HNR5A1ESR1
Hydrochloric Acid SCHEMBL6851370 0.81 KMT2A (0.56)
SCHEMBL8449777 0.81 LTA4H (0.50) LTA4HPARP10L3MBTL1

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
WO-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO disclosed