SCHEMBL7686006

SCHEMBL7686006

CCCCC(C(=O)OCC)n1c(C(=O)O)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DAO P14920 1/20 0.43
NOD2 Q9HC29 5/20 0.43
NOD1 Q9Y239 5/20 0.43
PLA2G4A P47712 1/20 0.42
CCR2 P41597 2/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
F10 P00742 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
SCHEMBL7683727 0.87 NOD2 (0.46) MEN1KMT2ANOD2NOD1CCR2
SCHEMBL6701629 0.82 MCL1 (0.50) MCL1MEN1KMT2ADAONOD2
SCHEMBL11158786 0.79 CNR2 (0.45) MEN1KMT2ANOD2NOD1CNR2
SCHEMBL19347267 0.75 CNR2 (0.46) MEN1KMT2ACNR2TSHRKDM4E
SCHEMBL7686433 0.73 MAPT (0.44) MEN1KMT2ANOD2NOD1ALDH1A1
SCHEMBL5823619 0.72 MCL1 (0.62) MCL1DAOCCR2ALDH1A1TSHR
SCHEMBL9092058 0.71 KDM4E (0.54) KMT2ACNR2ALDH1A1TSHRKDM4E
SCHEMBL7684555 0.71 MCL1 (0.53) MCL1MEN1KMT2ADAOCCR2
SCHEMBL5794123 0.71 NOD2 (0.57) MEN1KMT2ANOD2NOD1ALDH1A1
SCHEMBL29463237 0.71 NOD2 (0.57) MEN1KMT2ANOD2NOD1ALDH1A1

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