SCHEMBL11324940

SCHEMBL11324940

CC(C)(C)CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
LMNA P02545 2/20 0.50
PTGS1 P23219 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
ABCB11 O95342 1/20 0.48
MT-CO2 P00403 2/20 0.35
ALOX5 P09917 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CES2 O00748 2/20 0.34
GAA P10253 3/20 0.33

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
SCHEMBL11329439 0.84 ALDH1A1 (0.57) MAPTALDH1A1CYP2C19CYP3A4LMNA
Tribuzone SCHEMBL2109159 0.82 ALDH1A1 (0.52) MAPTALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL11327797 0.81 ALDH1A1 (0.51) MAPTALDH1A1CYP2C19CYP3A4LMNA
Kebuzone SCHEMBL231224 0.80 LMNA (0.58) MAPTALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL11335326 0.80 ALDH1A1 (0.50) MAPTALDH1A1CYP2C19CYP3A4LMNA
Kebuzone SCHEMBL6375816 0.79 LMNA (0.56) MAPTALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL11322746 0.79 ALDH1A1 (0.49) MAPTALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL11327437 0.77 ALDH1A1 (0.64) MAPTALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL11321102 0.77 ALDH1A1 (0.52) MAPTALDH1A1CYP2C19CYP3A4LMNA
SCHEMBL11332855 0.76 CYP3A4 (0.51) MAPTALDH1A1CYP2C19CYP3A4LMNA

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-4273873-A BONDING SYNTHETIC FIBRINOLYTIC COMPOUND OR ENZYME UNITIKA LTD. (JP) 1981-06-16 US disclosed