SCHEMBL30159699

SCHEMBL30159699

Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 10/20 0.53
MGLL Q99685 1/20 0.34
NOTUM Q6P988 1/20 0.33
PDE2A O00408 2/20 0.33
FLT1 P17948 2/20 0.33
KDR P35968 2/20 0.33
TIPARP Q7Z3E1 1/20 0.33
ENPP1 P22413 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL14718624 1.00 DAO (0.53) DAOMGLLNOTUMPDE2AFLT1
SCHEMBL14719044 0.89 DAO (0.50) DAOTIPARPENPP1PARP1
SCHEMBL14719586 0.86 DAO (0.52) DAOPDE2ATIPARPENPP1PARP1
SCHEMBL14726517 0.85 DAO (0.53) DAOMGLLNOTUMFLT1KDR
SCHEMBL16231926 0.84 DAO (0.41) DAOPARP1
SCHEMBL16231932 0.84 NR3C2 (0.45) DAOENPP1PARP1
SCHEMBL14719656 0.84 DAO (0.50) DAOPARP1
SCHEMBL30107640 0.84 DAO (0.50) DAOPARP1
SCHEMBL16231925 0.83 GPR84 (0.43) DAONOTUM
SCHEMBL14719483 0.81 DAO (0.50) DAOPARP1

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
CN-115666526-A Oral solid preparation 武田药品工业株式会社 2023-01-31 CN disclosed