SCHEMBL7989832

SCHEMBL7989832

O[C@@H]([C@H](O)[C@@H](COCC=Cc1ccccc1)OCc1ccccc1)[C@@H](COCC=Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
IDO1 P14902 2/20 0.41
SIGMAR1 Q99720 4/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
LMNA P02545 1/20 0.39
DRD2 P14416 2/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
PPARG P37231 2/20 0.37
HTT P42858 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
SCHEMBL7989829 1.00 ALOX5 (0.44) ALOX5IDO1SIGMAR1HTR2AHTR2C
SCHEMBL7505862 0.81 CA1 (0.41) CA1CA2CA7CA9HTT
SCHEMBL5742123 0.80 CA1 (0.56) CA1CA2CA7CA9HTT
SCHEMBL1157826 0.77 ALOX5 (0.60) ALOX5IDO1SIGMAR1HTR2AHTR2C
SCHEMBL1157829 0.77 ALOX5 (0.60) ALOX5IDO1SIGMAR1HTR2AHTR2C
SCHEMBL7993253 0.75 CA1 (0.44) CA1CA2CA7CA9PPARA
SCHEMBL7989918 0.75 CA1 (0.50) LMNACA1CA2CA7CA9
SCHEMBL7511915 0.75 CA1 (0.50) CA1CA2CA7CA9HTT
SCHEMBL10489563 0.74 IDO1 (0.50) ALOX5IDO1SIGMAR1HTR2AHTR2C
SCHEMBL7988903 0.74 CA1 (0.49) CA1CA2CA7CA9HTT

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
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed