SCHEMBL7140689

SCHEMBL7140689

COC(=O)C(CO)NCCCc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.44
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
CYP4F2 P78329 1/20 0.40
GGT1 P19440 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
SPHK1 Q9NYA1 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
Hydrochloric Acid SCHEMBL7140684 0.99 CYP4A11 (0.43) CYP4A11ATML3MBTL1ALDH1A1CYP1A2
SCHEMBL8208855 0.87 GGT1 (0.53) L3MBTL1ALDH1A1CYP2C9CYP2C19GGT1
SCHEMBL8210953 0.87 GGT1 (0.53) L3MBTL1ALDH1A1CYP2C9CYP2C19GGT1
Hydrochloric Acid SCHEMBL27506820 0.86 GGT1 (0.52) L3MBTL1ALDH1A1CYP2C9CYP2C19GGT1
Hydrochloric Acid SCHEMBL8208849 0.86 GGT1 (0.52) L3MBTL1ALDH1A1CYP2C9CYP2C19GGT1
SCHEMBL8638780 0.85 GGT1 (0.51) CYP4A11ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7144558 0.83 SIGMAR1 (0.50) L3MBTL1ALDH1A1CYP2C9CYP2C19GGT1
Hydrochloric Acid SCHEMBL7146346 0.83 ALDH1A1 (0.41) CYP4A11ALDH1A1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7144556 0.82 SIGMAR1 (0.49) L3MBTL1ALDH1A1CYP2C9CYP2C19GGT1
Hydrochloric Acid SCHEMBL7144561 0.82 SIGMAR1 (0.49) L3MBTL1ALDH1A1CYP2C9CYP2C19GGT1

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-0951465-B1 ALPHA-AMINO ACID AMIDES, PREPARATION THEREOF AND THE THERAPEUTICAL USE THEREOF CHIESI FARMA SPA (IT) 2003-04-16 EP disclosed
US-6114391-A A DERIVATIVES OF SERINAMIDE, GLYCINAMIDE, ALANINAMIDE AND PHENYLALANINAMIDE FOR TREATING NEUROLOGICAL DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2000-09-05 US disclosed