SCHEMBL11192809

SCHEMBL11192809

O=C(O)Cc1cc2ccc(F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
PIN1 Q13526 7/20 0.48
FLT3 P36888 2/20 0.46
TSHR P16473 2/20 0.45
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 1/20 0.42
PDPK1 O15530 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AR P10275 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL31381369 1.00 DAO (0.50) DAODDOPIN1FLT3TSHR
SCHEMBL3838663 0.87 TSHR (0.58) DAOFLT3TSHRIDO1KDM4E
SCHEMBL5637951 0.85 DAO (0.49) DAODDOPIN1FLT3TSHR
SCHEMBL5694475 0.80 GPR17 (0.44) KDM4E
SCHEMBL5694483 0.80 CASP3 (0.54) KDM4EALDH1A1HPGDAPEX1HSD17B10
SCHEMBL16240111 0.80 DAO (0.50) DAODDOPIN1FLT3TSHR
SCHEMBL1122187 0.79 PTGDR2 (0.45) DAODDOPIN1FLT3PTGDR2
SCHEMBL5795144 0.79 DAO (0.51) DAODDOPIN1FLT3IDO1
SCHEMBL3422658 0.78 PTGDR2 (0.46) ALDH1A1HPGDPTGDR2NR3C1PGR
SCHEMBL49270 0.77 LOXL2 (0.56) DAODDOFLT3IDO1KDM4E

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
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed