SCHEMBL7679936

SCHEMBL7679936

CC(C)(C)OC(=O)Cn1c(C(=O)OCc2ccccc2)cc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ATM Q13315 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
F10 P00742 2/20 0.39
JAK2 O60674 2/20 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
SCHEMBL7686579 0.85 KDM4E (0.44) KMT2AMEN1KDM4EATMCYP1A2
SCHEMBL3960725 0.84 KMT2A (0.54) KMT2AMEN1KDM4ECYP1A2POLB
SCHEMBL7684301 0.81 KMT2A (0.42) KMT2AMEN1KDM4EL3MBTL1RAB9A
SCHEMBL7684512 0.79 KMT2A (0.43) KMT2AMEN1KDM4EATML3MBTL1
SCHEMBL7684569 0.79 KDM4E (0.42) KMT2AMEN1KDM4ERAB9AALDH1A1
SCHEMBL7688134 0.78 F10 (0.46) KMT2AMEN1KDM4ERAB9AALDH1A1
SCHEMBL7688151 0.78 KMT2A (0.38) KMT2AMEN1KDM4EL3MBTL1RAB9A
SCHEMBL7684727 0.78 F10 (0.46) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL833455 0.75 NOD2 (0.59) KMT2AMEN1KDM4EATMCYP1A2
SCHEMBL7681745 0.75 F10 (0.43) KMT2AMEN1KDM4EATMRAB9A

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