SCHEMBL7423685

SCHEMBL7423685

CC(C)(C)OC(=O)n1ccc2ccc(C(=O)OCc3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.45
LMNA P02545 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
KMT2A Q03164 4/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SRD5A1 P18405 1/20 0.38

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
SCHEMBL949890 0.91 JMJD6 (0.45) JMJD6LMNATDP1KMT2ASLC6A2
SCHEMBL29821188 0.82 SRD5A2 (0.47) KMT2ARAB9ANPC1SRD5A2
SCHEMBL3898829 0.82 SRD5A2 (0.47) KMT2ARAB9ANPC1SRD5A2
SCHEMBL29632068 0.81 KDM4E (0.48) JMJD6LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL1623467 0.81 KDM4E (0.48) JMJD6LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6172405 0.81 KDM4E (0.45) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL30965167 0.81 KDM4E (0.45) TDP1MAPTALDH1A1HPGDKDM4E
SCHEMBL6171436 0.80 ALDH1A1 (0.45) LMNATDP1KMT2ASLC6A2SLC6A3
SCHEMBL7900780 0.80 TDP1 (0.53) JMJD6LMNATDP1KMT2ASLC6A2
SCHEMBL6174209 0.78 USP30 (0.51) MAPTL3MBTL1

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