SCHEMBL10716629

SCHEMBL10716629

CC(CC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 2/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 5/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
TEAD4 Q15561 1/20 0.43
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 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
SCHEMBL3151324 0.92 MAPT (0.49) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL21671652 0.90 NPC1 (0.49) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL9359862 0.86 MAOB (0.49) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL19012408 0.80 ALDH1A1 (0.44) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL15054796 0.78 MAPT (1.00) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL6558453 0.78 ALDH1A1 (0.54) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL8540028 0.77 ALDH1A1 (0.59) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL4672138 0.76 MAPT (0.71) MAPTRAB9ANPC1ALDH1A1MAPK1
SCHEMBL10794218 0.75 TSHR (0.43) MAPTRAB9ANPC1TSHR
SCHEMBL10030387 0.75 NPC1 (0.69) MAPTRAB9ANPC1ALDH1A1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62004252-A None JP disclosed
JP-62010050-A None JP disclosed
JP-S6210050-A PRODUCTION OF 2,4-BIS(4-(4-AMINOPHENOXY)PHENYL)-2-METHYLPENTANE MITSUI TOATSU CHEM INC 1987-01-19 JP disclosed
JP-S624252-A 2,4-BIS(4-(4-AMINOPHENOXY)PHENYL)-2-METHYLPENTANE AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1987-01-10 JP disclosed