SCHEMBL7428952

SCHEMBL7428952

CC(C)(C)OC(=O)n1c(CO)cc2c(C(=O)OCc3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
NR1H2 P55055 9/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
NR1H3 Q13133 2/20 0.39
TRPV3 Q8NET8 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 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
SCHEMBL7970319 0.88 ALDH1A1 (0.44) ALDH1A1TDP1NR1H2L3MBTL1TSHR
SCHEMBL7425156 0.85 ALDH1A1 (0.41) ALDH1A1TDP1NR1H2L3MBTL1TSHR
SCHEMBL7423989 0.85 KMT2A (0.39) ALDH1A1TDP1NR1H2L3MBTL1TSHR
SCHEMBL7423161 0.85 CRHBP (0.43) ALDH1A1TDP1NR1H2L3MBTL1TSHR
SCHEMBL7422550 0.85 L3MBTL1 (0.38) ALDH1A1TDP1NR1H2L3MBTL1TSHR
SCHEMBL3175931 0.79 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL19013560 0.78 NR1H2 (0.43) NR1H2L3MBTL1NR1H3CHRM2CHRM4
SCHEMBL19013550 0.77 NR1H2 (0.42) NR1H2L3MBTL1NR1H3TRPV3CHRM2
SCHEMBL19013504 0.77 CHRM2 (0.44) NR1H2L3MBTL1NR1H3TRPV3CHRM2
SCHEMBL19013557 0.77 NR1H2 (0.42) NR1H2L3MBTL1NR1H3CHRM2CHRM4

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