SCHEMBL7183196

SCHEMBL7183196

CC1CC(NC(=O)c2cccc(C(=O)NC3CC(C)CC(C)(C)C3)c2C(=O)NC2CC(C)CC(C)(C)C2)CC(C)(C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 4/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.45
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPP1CA P62136 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
P2RX7 Q99572 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12858625 0.84 KMT2A (0.65) TDP1ALDH1A1HTTKDM4EATM
SCHEMBL10896432 0.83 TDP1 (0.52) TDP1ALDH1A1HTTKDM4EATM
SCHEMBL2916925 0.79 TDP1 (0.59) TDP1ALDH1A1HTTKDM4EATM
SCHEMBL10896965 0.77 TDP1 (0.46) TDP1ALDH1A1HTTKDM4EATM
SCHEMBL7181153 0.77 TAS1R3 (0.63) ALDH1A1HTTKDM4ELMNATAS1R3
SCHEMBL12858327 0.77 ALDH1A1 (0.55) TDP1ALDH1A1HTTKDM4EATM
SCHEMBL7181787 0.74 P2RX7 (0.64) ALDH1A1HTTKDM4EKMT2ALMNA
SCHEMBL14296414 0.74 ALDH1A1 (0.63) TDP1ALDH1A1HTTKDM4EATM
SCHEMBL3455698 0.73 HPGD (0.62) TDP1ALDH1A1HTTKDM4EATM
SCHEMBL1555269 0.73 ALDH1A1 (0.61) TDP1ALDH1A1HTTKDM4EATM

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-1366116-A2 POLYPROPYLENE RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2003-12-03 EP disclosed
WO-2002046300-A2 POLYPROPYLENE RESIN COMPOSITIONS CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2002-06-13 WO disclosed