SCHEMBL9960849

SCHEMBL9960849

Cc1c(C(=O)O)c(C)n(C2=CC(O)c3ccccc32)c1CC1CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.32
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTR2B P41595 1/20 0.30
MAPK14 Q16539 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 0.86 HTT (0.32)
SCHEMBL9960871 0.83 DGAT1 (0.30)
SCHEMBL9960959 0.82 MAPK1 (0.32)
SCHEMBL9960700 0.77 NOTUM (0.34) THRB
SCHEMBL16144932 0.72 NOTUM (0.38) PLA2G1BTHRB
SCHEMBL9960907 0.70 MYC (0.31)
SCHEMBL9960992 0.70 MYC (0.35)
SCHEMBL9960743 0.68 KMT2A (0.34)
SCHEMBL9961059 0.66 ATM (0.34)
SCHEMBL16144933 0.66 KMT2A (0.37) THRB

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