SCHEMBL7348561

SCHEMBL7348561

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)O)cn2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
LTC4S Q16873 1/20 0.37
ATM Q13315 2/20 0.36
PYGL P06737 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7345312 0.95 MAPT (0.38) TP53GAAATMPYGLGPBAR1
SCHEMBL7780810 0.92 TP53 (0.42) TP53GAAATMIRAK4LMNA
SCHEMBL7344138 0.91 GAA (0.42) TP53GAAALDH1A1LMNAMAPT
SCHEMBL7346417 0.91 TP53 (0.42) TP53GAAATMIRAK4LMNA
SCHEMBL7337787 0.90 ALDH1A1 (0.41) TP53GAAALDH1A1LMNAMAPT
SCHEMBL7347732 0.90 MAP3K7 (0.39) ATM
SCHEMBL7345297 0.89 MAPT (0.40) TP53GAAATMLMNAMAPT
SCHEMBL7348212 0.89 IRAK4 (0.39) TP53GAAATMIRAK4LMNA
SCHEMBL7336388 0.89 TP53 (0.39) TP53GAAATMPYGLLMNA
SCHEMBL7780836 0.89 TP53 (0.38) TP53GAAATMIRAK4LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed