SCHEMBL7063003

SCHEMBL7063003

CC(=O)c1ccc(Oc2cc(C)ccc2C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.61
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
HPGD P15428 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.45
MAOB P27338 2/20 0.43
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2A6 P11509 1/20 0.41
MRGPRX1 Q96LB2 2/20 0.40
MEN1 O00255 1/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 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
SCHEMBL19697329 0.84 RAB9A (0.52) ESRRAMAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL7045055 0.82 MRGPRX4 (0.51) ESRRAMRGPRX4SMN1; SMN2ALDH1A1MMP13
SCHEMBL3151750 0.81 AR (0.44) ESRRAMRGPRX4KMT2AALDH1A1LMNA
SCHEMBL6061341 0.80 ACHE (0.47) MAPTRAB9AMRGPRX4KMT2AALDH1A1
SCHEMBL11173052 0.78 TDP1 (0.49) ESRRAHPGDMRGPRX4SMN1; SMN2KMT2A
SCHEMBL25490777 0.78 MRGPRX4 (0.45) MRGPRX4SMN1; SMN2ALDH1A1KDM4ECYP2A6
SCHEMBL7131209 0.78 CYP2A6 (0.44) ESRRAMRGPRX4SMN1; SMN2ALDH1A1LMNA
SCHEMBL7149236 0.75 HTT (0.40) ESRRAMRGPRX4KDM4EL3MBTL1
SCHEMBL903435 0.75 MAPT (0.83) ESRRAMAPTRAB9AHPGDMAOB
SCHEMBL9999838 0.75 MAPT (0.83) ESRRAMAPTRAB9AHPGDMAOB

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
WO-2003031382-A2 PROCESS FOR THE PREPARATION OF HYDROXYDIPHENYL ETHER COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (NL) 2003-04-17 WO disclosed