SCHEMBL7666339

SCHEMBL7666339

[CH2]C(CCC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
CPA3 P15088 1/20 0.47
NR4A2 P43354 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46
KEAP1 Q14145 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL3674189 0.80 CYP2D6 (0.54) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL2332638 0.79 CYP2C19 (0.46) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL9035024 0.78 GABBR2 (0.53) CYP2C19CYP2D6CPA3MAPK1SRC
SCHEMBL14360103 0.78 GABBR2 (0.53) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL27720580 0.78 GABBR2 (0.53) CYP2C19CYP2D6CPA3MAPK1SRC
SCHEMBL8107873 0.77 RIPK1 (0.52) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL258372 0.77 RIPK1 (0.52) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL14360050 0.77 GABBR2 (0.52) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL991988 0.77 RIPK1 (0.52) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL30937427 0.76 CYP2D6 (0.46) CYP2C19ALDH1A1CYP2D6CYP1A2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355640-B1 TREATMENT OF HYPERTENSION, UROGENITAL DISORDERS AND FORMED BY WITTIG REACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
CN-1046724-C Pyrazolopyridine compounds, pharmaceutical compositions containing them, processes for their preparation and their use FUJISAWA PHARMACEUTICAL CO (JP) 1999-11-24 CN disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
CN-1139928-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-01-08 CN disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed