SCHEMBL9799770

SCHEMBL9799770

CCOc1ccc(C(C)(C)CCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.54
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
FFAR1 O14842 5/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CETP P11597 1/20 0.43
P2RX3 P56373 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
FDFT1 P37268 2/20 0.40
MAPT P10636 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PPARA Q07869 1/20 0.39

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
SCHEMBL7518059 0.93 LTA4H (0.51) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL10544042 0.90 LTA4H (0.46) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL9558271 0.85 KDM4E (0.43) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL9861998 0.85 LTA4H (0.49) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL9029865 0.85 LTA4H (0.49) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL10547241 0.84 ALDH1A1 (0.45) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL10549104 0.84 FDFT1 (0.41) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL9558315 0.84 FDFT1 (0.43) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL10544557 0.84 NPC1 (0.43) LTA4HNPC1RAB9APOLBCYP2C9
SCHEMBL10547034 0.84 ALDH1A1 (0.45) LTA4HNPC1RAB9APOLBCYP2C9

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-0219553-B1 PROCESS FOR PREPARING 3-PHENOXYBENZYL 2-(4-ALKOXYPHENYL)-2-METHYLPROPYL ETHERS MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-03-06 EP disclosed