SCHEMBL6547461

SCHEMBL6547461

Cc1ncc(CC(=O)O)n1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.45
PTGS1 P23219 2/20 0.44
HTT P42858 2/20 0.44
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KLKB1 P03952 1/20 0.42
CTSB P07858 1/20 0.42
OXTR P30559 1/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 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
SCHEMBL5823683 0.84 AVPR1A (0.49) AVPR1AOXTRMEN1KMT2AALDH1A1
SCHEMBL4879878 0.78 AVPR1A (0.49) AVPR1AHTTOXTRRXRAPTGS2
SCHEMBL6547472 0.77 CYP11B1 (0.50) PTGS1HTTABCC4LMNAGAA
SCHEMBL8669619 0.75 AVPR1A (0.46) AVPR1AHTTOXTRALDH1A1MAPT
SCHEMBL6593121 0.72 AVPR1A (0.53) AVPR1AHTTTSHROXTRPTGS2
SCHEMBL2789865 0.71 CYP2C19 (0.58) HTTLMNATSHRMEN1KMT2A
SCHEMBL8666696 0.70 AVPR1A (0.41) AVPR1AHTTOXTRPTGS2ALDH1A1
SCHEMBL27535437 0.70 AVPR1A (0.42) AVPR1AHTTLMNATSHRMEN1
SCHEMBL8735101 0.70 AVPR1A (0.58) AVPR1AHTTOXTRRXRAALDH1A1
SCHEMBL8728777 0.69 PTGS1 (0.44) PTGS1HTTABCC4LMNAGAA

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
EP-0748315-B1 USE OF IMIDAZOLE DERIVATIVES FOR TREATING DISORDERS INVOLVING ANGIOTENSIN RECEPTORS AT1 AND AT2, THESE PRODUCTS, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-01-07 EP claimed
EP-0748314-B1 TETRASUBSTITUTED IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THE SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AVENTIS PHARMA SA (FR) 2002-05-15 EP claimed
US-5811445-A ANGIOTENSIN II INHIBITORS ROUSSEL UCLAF (FR) 1998-09-22 US disclosed
US-5807878-A CARDIOVASCULAR DISORDERS Uclaf, Roussel (FR) 1998-09-15 US disclosed