SCHEMBL7681745

SCHEMBL7681745

CC(C)(C)OC(=O)Cn1c(C(=O)OCc2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.43
CCR2 P41597 2/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
PDE1C Q14123 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
RAB9A P51151 2/20 0.40
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PLA2G2A P14555 1/20 0.39
MEN1 O00255 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL7684727 0.85 F10 (0.46) F10KMT2AALDH1A1NOD2NOD1
SCHEMBL7688134 0.85 F10 (0.46) F10KMT2AALDH1A1RAB9ANOD2
SCHEMBL3960725 0.85 KMT2A (0.54) F10CCR2KMT2AALDH1A1NOD2
SCHEMBL7684512 0.82 KMT2A (0.43) F10KMT2AALDH1A1ATMNOD2
SCHEMBL17060361 0.82 CCR2 (0.57) F10CCR2ITGA4ITGB7ALDH1A1
SCHEMBL7684301 0.80 KMT2A (0.42) F10PDE1CKMT2AALDH1A1RAB9A
SCHEMBL18733288 0.79 LTB4R (0.55) F10KMT2ARAB9ANOD2NOD1
SCHEMBL7684569 0.77 KDM4E (0.42) F10KMT2AALDH1A1RAB9AMEN1
SCHEMBL17060318 0.77 NOD2 (0.60) F10CCR2KMT2AALDH1A1ATM
SCHEMBL8480965 0.76 CCR2 (0.49) F10CCR2RAB9ANOD2NOD1

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