SCHEMBL7474173

SCHEMBL7474173

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)O)ccc1NC(=O)c1cccc2[nH]c(C(N)C(=O)OC(C)(C)C)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.32
ADRA1A P35348 4/20 0.32
ADRA1B P35368 4/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
DHODH Q02127 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
PPARD Q03181 1/20 0.30
HDAC3 O15379 1/20 0.30
BRD4 O60885 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
SCHEMBL7484853 0.90 BRD4 (0.37) IRAK4PPARGPPARADHODHMEN1
SCHEMBL7482373 0.86 BRD4 (0.34) ADRA1DADRA1AADRA1BIRAK4PPARG
SCHEMBL7483103 0.83 BRD4 (0.36) IRAK4MEN1KMT2AHDAC3BRD4
SCHEMBL7560974 0.82 ATM (0.35) IRAK4GPBAR1TP53BRD4
SCHEMBL7477215 0.82 HDAC3 (0.36) IRAK4DHODHMEN1KMT2AHDAC3
SCHEMBL7474276 0.82 BRD4 (0.34) IRAK4MEN1KMT2AHDAC3BRD4
SCHEMBL7965806 0.82 BRD4 (0.34) IRAK4MEN1KMT2AHDAC3BRD4
SCHEMBL7964830 0.82 IRAK4 (0.37) IRAK4DHODHMEN1KMT2ATP53
SCHEMBL7595290 0.81 CHEK1 (0.35) IRAK4DHODHMEN1KMT2AHDAC3
SCHEMBL7607734 0.81 BRD4 (0.35) IRAK4MEN1KMT2ATP53BRD4

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 3 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
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