SCHEMBL4677512

SCHEMBL4677512

O=C(O)Oc1cccc(COc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.49
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
FFAR1 O14842 3/20 0.45
LMNA P02545 1/20 0.43
SMPD1 P17405 2/20 0.43
PDE5A O76074 2/20 0.43
PTGER4 P35408 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL4675231 0.83 LMNA (0.48) KCNH2MRGPRX4MAPTRAB9AGPBAR1
SCHEMBL3564550 0.80 MRGPRX4 (0.74) KCNH2MRGPRX4GPBAR1PDE5APTGER4
SCHEMBL4672078 0.78 PPARD (0.50) KDM4EMAPTRAB9AFFAR1SMPD1
SCHEMBL4671564 0.76 NPC1 (0.50) KDM4EMAPTRAB9AGAAFFAR1
SCHEMBL377165 0.73 KDM4E (0.44) KDM4EMAPTLMNAHDAC6ALDH1A1
SCHEMBL14021653 0.71 CYSLTR2 (0.62) KCNH2FFAR1CYSLTR2CYSLTR1AKR1B1
SCHEMBL4671246 0.70 PPARD (0.47) MRGPRX4MAPTGAAPTGER4DHODH
SCHEMBL11188667 0.70 MRGPRX4 (0.78) KCNH2MRGPRX4KDM4EGPBAR1PDE5A
SCHEMBL3135703 0.70 MCL1 (0.49) RAB9AMCL1DHODHNPC1
SCHEMBL3554869 0.69 RAB9A (0.52) KDM4EMAPTRAB9AGAAGPBAR1

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-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed