SCHEMBL9848769

SCHEMBL9848769

CC(C)OC(OCc1cccc(Oc2ccccc2)c1)C(C)(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.39
PTGES O14684 1/20 0.39
CETP P11597 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TACR1 P25103 1/20 0.37

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
SCHEMBL9848795 0.87 KDM4E (0.42) FFAR1PTGESCETPKDM4EALDH1A1
SCHEMBL9848766 0.86 FFAR1 (0.47) FFAR1PTGESCETPKDM4EALDH1A1
SCHEMBL9848787 0.82 CETP (0.48) FFAR1CETPKDM4EALDH1A1TDP1
SCHEMBL9403958 0.82 KDM4E (0.36) FFAR1CETPKDM4EALDH1A1TDP1
SCHEMBL9339511 0.81 FFAR1 (0.46) FFAR1PTGESCETPKDM4EALDH1A1
Isopropyl Alcohol SCHEMBL9848770 0.74 PTGES (0.43) FFAR1PTGESCETPTDP1FFAR4
SCHEMBL10532258 0.74 NPC1 (0.44) FFAR1CETPKDM4EALDH1A1TDP1
SCHEMBL9848779 0.74 FFAR1 (0.41) FFAR1PTGESCETPTDP1FFAR4
SCHEMBL9858667 0.74 PPARG (0.40) FFAR1PTGESCETPFFAR4
SCHEMBL7753385 0.73 FFAR1 (0.48) FFAR1PTGESCETPKDM4EALDH1A1

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-0421385-A1 Process for producing p-hydroxyneophyl m-phenoxybenzyl ether MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-04-10 EP disclosed