SCHEMBL7684569

SCHEMBL7684569

COc1cc2cc(C(=O)OCc3ccccc3)n(CC(=O)OC(C)(C)C)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
F10 P00742 2/20 0.41
SRD5A2 P31213 2/20 0.38
SRD5A1 P18405 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
F2 P00734 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
SCHEMBL7684512 0.84 KMT2A (0.43) KDM4EALDH1A1F10SRD5A2LTB4R
SCHEMBL7688499 0.84 CCR9 (0.43) KDM4EALDH1A1LTB4RLTB4R2ACSS2
SCHEMBL7684727 0.83 F10 (0.46) KDM4EALDH1A1F10SRD5A2LTB4R
SCHEMBL3960725 0.83 KMT2A (0.54) KDM4EALDH1A1F10LTB4RLTB4R2
SCHEMBL7684301 0.82 KMT2A (0.42) KDM4EALDH1A1F10LTB4RLTB4R2
SCHEMBL7688134 0.81 F10 (0.46) KDM4EALDH1A1F10SRD5A2LTB4R
SCHEMBL7679936 0.79 EGLN1 (0.45) KDM4EALDH1A1F10MEN1KMT2A
SCHEMBL7683717 0.78 SMN1; SMN2 (0.46) KDM4EALDH1A1F10MEN1KMT2A
SCHEMBL7681745 0.77 F10 (0.43) KDM4EALDH1A1F10LTB4RLTB4R2
SCHEMBL7688151 0.77 KMT2A (0.38) KDM4EALDH1A1F10MEN1KMT2A

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