SCHEMBL9960959

SCHEMBL9960959

COCCc1c(C)c(C(=O)O)c(C)n1C1=CC(O)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
LIPE Q05469 1/20 0.30
PPARG P37231 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
SCHEMBL9960910 0.85 HTT (0.32) TAAR1
SCHEMBL9960849 0.82 PLA2G1B (0.32)
SCHEMBL9960871 0.82 DGAT1 (0.30)
SCHEMBL16144906 0.72 MEN1 (0.35) MAPK1KDM4EMAPTALDH1A1TSHR
SCHEMBL9960700 0.72 NOTUM (0.34) KDM4EMAPTATML3MBTL1
SCHEMBL9960907 0.70 MYC (0.31)
SCHEMBL9960992 0.69 MYC (0.35) MAPTATML3MBTL1ALDH1A1
SCHEMBL9960743 0.67 KMT2A (0.34) MAPTATM
SCHEMBL9961059 0.65 ATM (0.34) ATMTSHR
SCHEMBL16144933 0.65 KMT2A (0.37) KDM4EMAPTATMALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858629-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE Leo Laboratories Limited (IE) 2015-04-15 EP disclosed
WO-2013182688-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2013-12-12 WO disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed