SCHEMBL7686579

SCHEMBL7686579

CC(C)(C)OC(=O)Cn1c(C(=O)O)cc2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
ATM Q13315 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
CCR9 P51686 2/20 0.39
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
FDPS P14324 1/20 0.39
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL7679936 0.85 EGLN1 (0.45) KDM4EALDH1A1ATMKMT2ACYP1A2
SCHEMBL3958982 0.80 CCR2 (0.56) KDM4EALDH1A1KMT2ACYP1A2MEN1
SCHEMBL3757847 0.79 GPR35 (0.48) KDM4EALDH1A1ATMKMT2ACYP1A2
SCHEMBL15334966 0.77 CNR2 (0.48) KDM4EALDH1A1KMT2AMEN1CNR2
SCHEMBL2049484 0.76 CNR2 (0.46) KDM4EALDH1A1ATMKMT2ACYP1A2
SCHEMBL7684946 0.76 NTRK1 (0.52) KDM4EALDH1A1CYP1A2CCR9NTRK1
SCHEMBL15157126 0.74 KDM4E (0.44) KDM4EALDH1A1KMT2ANTRK1
SCHEMBL3592491 0.74 MTNR1A (0.52) KDM4EALDH1A1KMT2A
SCHEMBL3005616 0.74 CCR2 (0.62) KDM4EALDH1A1ATMKMT2ACYP1A2
SCHEMBL31091283 0.73 CYP3A4 (0.42) KDM4EATMKMT2ACYP1A2CYP3A4

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-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed