SCHEMBL7568633

SCHEMBL7568633

CC(C)(C)OC(=O)n1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2c(C(=O)OCc3ccccc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
PDE10A Q9Y233 1/20 0.36
HTR6 P50406 1/20 0.36
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ACHE P22303 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 1/20 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
SCHEMBL7954180 0.89 L3MBTL1 (0.42) L3MBTL1PDE10AHTR6BRD4CREBBP
SCHEMBL7426397 0.85 L3MBTL1 (0.48) L3MBTL1ALDH1A1TDP1PDE10AHTR6
SCHEMBL7422550 0.79 L3MBTL1 (0.38) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL7418679 0.78 ACHE (0.43) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL7533947 0.75 ALDH1A1 (0.38) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL3175931 0.72 ALDH1A1 (0.46) L3MBTL1ALDH1A1TDP1HTR6TSHR
SCHEMBL9685932 0.69 L3MBTL1 (0.77) L3MBTL1ALDH1A1PDE10AHTR6MAPK1
SCHEMBL7954442 0.68 NR1H2 (0.37)
SCHEMBL7422222 0.68 LMNA (0.41) L3MBTL1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL9956224 0.68 ALDH1A1 (0.49) L3MBTL1ALDH1A1TDP1TSHRMAPK1

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