SCHEMBL30003083

SCHEMBL30003083

CCCCOc1ccc(OCCCC)c2cc(C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
THRB P10828 1/20 0.47
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 5/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 3/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
CYP2D6 P10635 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL23271746 1.00 MAPT (0.47) MAPTALDH1A1GAANPSR1THRB
SCHEMBL23271714 0.93 MAPT (0.51) MAPTALDH1A1GAANPSR1THRB
SCHEMBL30003112 0.93 MAPT (0.51) MAPTALDH1A1GAANPSR1THRB
SCHEMBL23271926 0.93 MAPT (0.51) MAPTALDH1A1GAANPSR1THRB
SCHEMBL30002785 0.93 MAPT (0.51) MAPTALDH1A1GAANPSR1THRB
SCHEMBL23271869 0.91 MAPT (0.50) MAPTALDH1A1GAANPSR1THRB
SCHEMBL30003611 0.91 MAPT (0.50) MAPTALDH1A1GAANPSR1THRB
SCHEMBL11209459 0.82 ESR1 (0.51) MAPTALDH1A1GAANPSR1THRB
SCHEMBL3034982 0.82 L3MBTL1 (0.56) MAPTALDH1A1GAANPSR1THRB
SCHEMBL23271829 0.82 KDM4E (0.50) MAPTALDH1A1GAAKDM4ETDP1

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
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed