SCHEMBL7418679

SCHEMBL7418679

CC(C)(C)OC(=O)n1cc(C=O)c2c(C(=O)OCc3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
BACE1 P56817 1/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 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
SCHEMBL7426397 0.84 L3MBTL1 (0.48) ACHEALDH1A1KMT2AMEN1TDP1
SCHEMBL7568633 0.78 L3MBTL1 (0.41) ACHEALDH1A1KMT2AMEN1TDP1
SCHEMBL3175931 0.78 ALDH1A1 (0.46) ACHEALDH1A1KMT2AMEN1TDP1
SCHEMBL15902467 0.77 L3MBTL1 (0.44) ACHEALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL29443977 0.77 L3MBTL1 (0.44) ACHEALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6304561 0.77 MEN1 (0.41) ACHEALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL28489996 0.76 HTR2C (0.39) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL28489226 0.76 HTR2C (0.39) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL28515592 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1POLBRAB9A
SCHEMBL7425156 0.76 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1BACE1TSHR

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