SCHEMBL20133387

SCHEMBL20133387

CCC(C)(c1ccc(Oc2ccc(C)cc2)cc1)c1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TEAD4 Q15561 1/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP13 P45452 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2C9 P11712 1/20 0.39
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 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
SCHEMBL19200293 0.87 TSHR (0.55) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL12156568 0.86 ACHE (0.58) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL25969481 0.84 LTA4H (0.53) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL13930892 0.84 MAPT (0.50) MAPTNPC1RAB9ATEAD4ALDH1A1
SCHEMBL9923543 0.84 NPC1 (0.70) MAPTNPC1RAB9ATEAD4ALDH1A1
SCHEMBL12942968 0.84 MAPT (0.50) MAPTNPC1RAB9ATEAD4ALDH1A1
SCHEMBL14159535 0.83 ALDH1A1 (0.56) MAPTNPC1RAB9AALDH1A1POLB
SCHEMBL12805064 0.82 LTA4H (0.55) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL1857763 0.82 MAPT (0.73) MAPTNPC1RAB9ATEAD4ALDH1A1
SCHEMBL13785751 0.82 HTT (0.54) MAPTALDH1A1TDP1MMP13CYP2C9

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
US-20180127544-A1 POLYAMIDE COMPOUND, AND METHOD FOR PRODUCING SAME TOYOTA BOSHOKU KABUSHIKI KAISHA (JP) 2018-05-10 US disclosed