SCHEMBL7684512

SCHEMBL7684512

Cc1cc2cc(C(=O)OCc3ccccc3)n(CC(=O)OC(C)(C)C)c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
F10 P00742 3/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SRD5A2 P31213 1/20 0.39
F2 P00734 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
TRPV4 Q9HBA0 1/20 0.38
SYK P43405 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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 0.88 F10 (0.46) KMT2AMEN1F10ALDH1A1KDM4E
SCHEMBL3960725 0.88 KMT2A (0.54) KMT2AMEN1F10ALDH1A1KDM4E
SCHEMBL7688134 0.86 F10 (0.46) KMT2AMEN1F10ALDH1A1KDM4E
SCHEMBL7688151 0.84 KMT2A (0.38) KMT2AMEN1F10ALDH1A1KDM4E
SCHEMBL7684569 0.84 KDM4E (0.42) KMT2AMEN1F10ALDH1A1KDM4E
SCHEMBL7684301 0.82 KMT2A (0.42) KMT2AMEN1F10ALDH1A1KDM4E
SCHEMBL7681745 0.82 F10 (0.43) KMT2AMEN1F10ALDH1A1KDM4E
SCHEMBL18733288 0.82 LTB4R (0.55) KMT2AMEN1F10SRD5A2NOD2
SCHEMBL7677561 0.81 GPR35 (0.44) ALDH1A1KDM4ELTB4RLTB4R2
SCHEMBL7679936 0.79 EGLN1 (0.45) KMT2AMEN1F10ALDH1A1KDM4E

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