SCHEMBL7428564

SCHEMBL7428564

CC(C)(C)C(=O)OCn1ccc2cccc(C(=O)O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
PTGER4 P35408 6/20 0.37
PTGDR Q13258 5/20 0.37
F2 P00734 2/20 0.35
F9 P00740 2/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 2/20 0.35
F11 P03951 2/20 0.35
KLKB1 P03952 2/20 0.35
F7 P08709 2/20 0.35
CFD P00746 1/20 0.35
ABCB11 O95342 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
PTGER2 P43116 2/20 0.34

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
SCHEMBL7421571 0.85 ALDH1A1 (0.45) NPC1ALDH1A1KMT2A
SCHEMBL3330677 0.76 KMT2A (0.51) NPC1ALDH1A1NOTUMKMT2A
SCHEMBL28228801 0.75 CNR2 (0.44) PTGER4PTGDRPTGER2
SCHEMBL6918987 0.73 F2 (0.43) PTGER4PTGDRF2F9F10
SCHEMBL9236518 0.72 NR4A1 (0.40) PTGER4PTGDRF2F9F10
SCHEMBL7652408 0.72 NOTUM (0.56) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL13557126 0.71 MAPK1 (0.43) NPC1PTGER4PTGDRALDH1A1NR4A1
SCHEMBL7679127 0.71 KMT2A (0.41) NPC1PTGER4PTGDRF2F9
SCHEMBL12900317 0.70 NOTUM (0.51) NPC1PTGER4PTGDRKDM4EALDH1A1
SCHEMBL1271088 0.70 PTGER4 (0.54) PTGER4PTGDRKDM4EALDH1A1PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed