SCHEMBL8628466

SCHEMBL8628466

COc1ccc2c(c1)c(O)nn2Cc1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
ELANE P08246 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 2/20 0.37
GRIK2 Q13002 2/20 0.36
TNF P01375 1/20 0.36
GRIK1 P39086 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35

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
SCHEMBL8447010 0.84 APLNR (0.47) KDM4ETP53TDP1PKM
SCHEMBL8449970 0.80 CYP1A2 (0.49) TP53LMNAPKM
SCHEMBL8448659 0.79 CNR1 (0.52) GRIK2GRIK1LMNAAKR1C3PKM
SCHEMBL8445101 0.79 NPBWR1 (0.46) KDM4ELMNAPKM
SCHEMBL8446733 0.78 PLA2G2A (0.48) TP53
SCHEMBL8627206 0.76 BUB1 (0.44) KDM4E
SCHEMBL8448874 0.76 MAPT (0.49) LMNAAKR1C3AKR1C2PKM
SCHEMBL8448901 0.75 ACHE (0.43) ELANEPKM
SCHEMBL8441605 0.75 PTGS2 (0.50)
SCHEMBL6966885 0.75 KDM4E (0.50) KDM4ETP53LMNAAKR1C3

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
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed