SCHEMBL12496248

SCHEMBL12496248

CC1(C)OB(c2cc3ccccc3c(O)n2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 3/20 0.41
▸ LIPG Q9Y5X9 3/20 0.41
▸ TRPM4 Q8TD43 1/20 0.34
▸ NQO2 P16083 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ P4HB P07237 1/20 0.31
▸ ANPEP P15144 1/20 0.30
▸ LAP3 P28838 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL21459066 0.73 NQO2 (0.46) LPLLIPGTRPM4NQO2P4HB
SCHEMBL29414003 0.73 NQO2 (0.46) LPLLIPGTRPM4NQO2P4HB
SCHEMBL732170 0.73 LPL (0.47) LPLLIPGANPEPLAP3KDM4E
SCHEMBL19794330 0.73 LPL (0.42) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL27343841 0.73 LPL (0.40) LPLLIPGNQO2IRAK4MEN1
SCHEMBL15400071 0.72 LPL (0.47) LPLLIPGIRAK4CYP1A2CYP2A6
SCHEMBL24211868 0.72 TRPM4 (0.42) LPLLIPGTRPM4NQO2P4HB
SCHEMBL734336 0.70 LPL (0.45) LPLLIPGTRPM4ANPEPLAP3
SCHEMBL360716 0.70 LPL (0.42) LPLLIPGANPEPLAP3KDM4E
SCHEMBL25992586 0.70 TRPM4 (0.40) LPLLIPGTRPM4NQO2KDM4E

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
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 — — EP disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 — — WO disclosed
Send feedback