SCHEMBL7682416

SCHEMBL7682416

COC(=O)C(C)n1c(C(=O)OCc2ccccc2)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
F2 P00734 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NOD2 Q9HC29 2/20 0.42
NOD1 Q9Y239 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.41
CCR2 P41597 1/20 0.41
SRC P12931 1/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
RCOR1 Q9UKL0 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
SCHEMBL7684555 0.83 MCL1 (0.53) KMT2AMEN1CNR2CCR2POLB
SCHEMBL22258127 0.78 MCL1 (0.60) F10F2KMT2ANOD2NOD1
SCHEMBL7682048 0.77 KMT2A (0.57) F10F2KMT2AMEN1NOD2
SCHEMBL7683727 0.77 NOD2 (0.46) F10F2KMT2AMEN1NOD2
SCHEMBL7682421 0.75 MTNR1A (0.51) F10F2KMT2AMEN1NOD2
SCHEMBL19362902 0.75 KMT2A (0.46) KMT2AMEN1CNR2POLBRAB9A
SCHEMBL25893347 0.75 KMT2A (0.48) F10F2KMT2AMEN1NOD2
SCHEMBL7881984 0.74 ALDH1A1 (0.50) F10KMT2ACNR2ALDH1A1MTNR1A
SCHEMBL6701629 0.74 MCL1 (0.50) F10KMT2AMEN1NOD2NOD1
SCHEMBL25893621 0.74 F10 (0.57) F10F2KMT2AMEN1NOD2

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