SCHEMBL7422222

SCHEMBL7422222

CC(C)(C)[Si](OCc1cc2c(C(=O)OCc3ccccc3)cccc2[nH]1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 2/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP12 P39900 2/20 0.37
MMP1 P03956 1/20 0.37
KDM4E B2RXH2 3/20 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
SCHEMBL7423141 0.79 ALDH1A1 (0.51) LMNAL3MBTL1TSHRCASP3RAB9A
SCHEMBL4561367 0.77 RHEB (0.36)
SCHEMBL7533947 0.77 ALDH1A1 (0.38) LMNAL3MBTL1TSHRCASP3RAB9A
SCHEMBL5851095 0.76 ALDH1A1 (0.52) LMNAL3MBTL1TSHRCASP3RAB9A
SCHEMBL7425507 0.75 SRD5A2 (0.48) LMNAL3MBTL1TSHRCASP3RAB9A
SCHEMBL7422550 0.74 L3MBTL1 (0.38) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL4772537 0.74 MEN1 (0.40) LMNAALDH1A1TDP1KDM4E
SCHEMBL7422802 0.73 ALOX5 (0.44) LMNATSHRRAB9AALDH1A1POLB
SCHEMBL7421535 0.72 ALDH1A1 (0.50) LMNAL3MBTL1TSHRCASP3RAB9A
SCHEMBL1314001 0.69 AGXT (0.42) LMNAL3MBTL1TSHRALDH1A1TDP1

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