SCHEMBL7345964

SCHEMBL7345964

COc1cc(C(=O)O)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
PYGL P06737 3/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.44
DRD2 P14416 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 2/20 0.43
CHEK1 O14757 1/20 0.43
PIM1 P11309 1/20 0.43
MAPK8 P45983 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL7338831 0.93 PYGL (0.47) LMNAPYGLKMT2AMEN1ALDH1A1
SCHEMBL7778277 0.90 BRD4 (0.52) KMT2AMEN1GAA
SCHEMBL7342516 0.85 ALDH1A1 (0.41) RAB9AKMT2AMEN1ALDH1A1DRD2
SCHEMBL7344390 0.85 RXFP1 (0.42) RAB9AKMT2AMEN1DRD2PKM
SCHEMBL7780810 0.84 TP53 (0.42) LMNARAB9AKMT2AMEN1DRD2
SCHEMBL7346417 0.84 TP53 (0.42) LMNARAB9AKMT2AMEN1DRD2
SCHEMBL7780835 0.84 LMNA (0.48) LMNARAB9APYGLPPARGPPARA
SCHEMBL7778679 0.83 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1
SCHEMBL7342620 0.83 BRD4 (0.50) KMT2AMEN1GAA
SCHEMBL7348561 0.83 TP53 (0.39) LMNARAB9APYGLPPARGPPARA

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
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed