SCHEMBL7682048

SCHEMBL7682048

COC(=O)Cn1c(C(=O)OCc2ccccc2)cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
F10 P00742 4/20 0.53
F2 P00734 1/20 0.53
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
SRC P12931 1/20 0.48
CCR2 P41597 1/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL6741019 0.89 MEN1 (0.47) KMT2AMEN1F10F2NOD2
SCHEMBL7682421 0.88 MTNR1A (0.51) KMT2AMEN1F10F2NOD2
SCHEMBL3960725 0.87 KMT2A (0.54) KMT2AMEN1F10F2NOD2
SCHEMBL8694830 0.87 MEN1 (0.69) KMT2AMEN1F10F2NOD2
SCHEMBL10629278 0.86 KMT2A (0.71) KMT2AMEN1F10NOD2NOD1
SCHEMBL2476665 0.83 CCR2 (0.60) KMT2AMEN1CCR2KDM4ESMN1; SMN2
SCHEMBL25893621 0.82 F10 (0.57) KMT2AMEN1F10F2NOD2
Hydrochloric Acid SCHEMBL9085791 0.82 ALDH1A1 (0.59) KMT2AMEN1CCR2KDM4ESMN1; SMN2
SCHEMBL7681737 0.81 KDM4E (0.42) KMT2AMEN1F10F2NOD2
SCHEMBL7087440 0.79 KDM4E (0.55) KMT2AMEN1F10CCR2KDM4E

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
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
CN-1276790-A Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them SANOFI SA (FR) 2000-12-13 CN disclosed