SCHEMBL7647702

SCHEMBL7647702

CC(C)N(c1ccc(C(c2ccc(N)cc2)(C(C)C)C(C)C)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL11022189 0.84 MAPT (0.42) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL924268 0.84 TDP1 (0.52) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL2155140 0.78 CYP3A4 (0.50) ALDH1A1CYP3A4MAPK1TDP1TP53
Bicarbonate SCHEMBL6665758 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL20438385 0.72 ALDH1A1 (0.39) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL4607372 0.71 ALDH1A1 (0.38) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL24703343 0.71 TSHR (0.44) ALDH1A1MAPK1TP53L3MBTL1TSHR
SCHEMBL29763170 0.68 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL21831591 0.67 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL625329 0.67 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPK1TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239948-A1 METHOD FOR PRODUCING MICROCAPSULES WHICH CARRY CATIONIC CHARGES Microcapsules Technologies (FR) 2002-09-18 EP disclosed
WO-2001041915-A1 METHOD FOR PRODUCING MICROCAPSULES WHICH CARRY CATIONIC CHARGES MICROCAPSULES TECHNOLOGIES (FR) 2001-06-14 WO disclosed