SCHEMBL7684301

SCHEMBL7684301

CC(C)(C)OC(=O)Cn1c(C(=O)OCc2ccccc2)cc2cnccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
NTRK1 P04629 2/20 0.41
F10 P00742 2/20 0.41
F2 P00734 1/20 0.39
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE1C Q14123 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL3960725 0.87 KMT2A (0.54) KMT2ATDP1ALDH1A1KDM4EMEN1
SCHEMBL7684946 0.84 NTRK1 (0.52) ALDH1A1KDM4ENTRK1LTB4RLTB4R2
SCHEMBL7684727 0.84 F10 (0.46) KMT2ALMNAALDH1A1KDM4EMEN1
SCHEMBL7688134 0.84 F10 (0.46) KMT2AALDH1A1KDM4EMEN1F10
SCHEMBL7684512 0.82 KMT2A (0.43) KMT2ALMNATDP1ALDH1A1KDM4E
SCHEMBL7684569 0.82 KDM4E (0.42) KMT2AALDH1A1KDM4EMEN1F10
SCHEMBL7679936 0.81 EGLN1 (0.45) KMT2ALMNATDP1ALDH1A1KDM4E
SCHEMBL7681745 0.80 F10 (0.43) KMT2AALDH1A1KDM4EMEN1F10
SCHEMBL7688151 0.78 KMT2A (0.38) KMT2ATDP1ALDH1A1KDM4EMEN1
SCHEMBL18733288 0.77 LTB4R (0.55) KMT2AMEN1F10LTB4RLTB4R2

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