SCHEMBL6439448

SCHEMBL6439448

CC(C)CC(C)N(c1ccc(N)cc1)C(C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 4/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GFER P55789 2/20 0.43
PSMD14 O00487 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 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
SCHEMBL29763170 0.92 ALDH1A1 (0.45) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL11614151 0.91 TDP1 (0.41) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL10414705 0.82 ALDH1A1 (0.52) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL2431138 0.82 TDP1 (0.44) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL107809 0.81 TDP1 (0.50) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL7745814 0.79 TDP1 (0.48) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL28346237 0.77 ACHE (0.46) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL105667 0.77 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4MAPK1TP53
SCHEMBL8464059 0.76 SLC2A1 (0.47) ALDH1A1MAPK1TP53L3MBTL1MAPT
SCHEMBL28544063 0.76 CYP3A4 (0.45) TDP1ALDH1A1CYP3A4MAPK1TP53

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-1133460-B1 STABLISED COMPOSITIONS COMPRISING OLEFINS ONDEO NALCO ENERGY SERV LP (US) 2005-08-10 EP claimed
WO-2023134977-A1 PROCESSING OF STABILISED COMPOSITIONS COMPRISING OLEFINS TOTALENERGIES ONETECH (FR) 2023-07-20 WO disclosed