SCHEMBL9326496

SCHEMBL9326496

CC(CO)(CCc1cccc(Oc2ccccc2)c1)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
LTA4H P09960 1/20 0.41
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
FDFT1 P37268 2/20 0.41
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38

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
SCHEMBL9861998 0.87 LTA4H (0.49) P2RX3CYP4F2CYP4A11LTA4HFDFT1
SCHEMBL7528130 0.84 FFAR1 (0.56) FFAR1FFAR4TDP1POLB
SCHEMBL11236257 0.82 MMP13 (0.48) P2RX3FDFT1FFAR1KDM4EALDH1A1
SCHEMBL9324651 0.81 FDFT1 (0.47) P2RX3LTA4HNR1H2BAXFDFT1
SCHEMBL7528688 0.79 FFAR1 (0.50) P2RX3LTA4HFFAR1FFAR4NPC1
SCHEMBL2600046 0.76 KDM4E (0.48) P2RX3FDFT1FFAR1FFAR4TSHR
SCHEMBL10650365 0.76 FDFT1 (0.43) P2RX3LTA4HNR1H2BAXFDFT1
SCHEMBL7524365 0.75 NPC1 (0.46) LTA4HNR1H2BAXFFAR1FFAR4
SCHEMBL9029865 0.75 LTA4H (0.49) P2RX3LTA4HFDFT1FFAR1FFAR4
SCHEMBL10648030 0.75 FDFT1 (0.47) P2RX3LTA4HNR1H2BAXFDFT1

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-0393513-B1 Preparation of a difluorohalomethoxybenzene MITSUI TOATSU CHEMICALS (JP) 1994-03-09 EP claimed