SCHEMBL7400264

SCHEMBL7400264

N#CCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.50
▸ PTGS1 P23219 2/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CAMK2A Q9UQM7 1/20 0.47
▸ PLA2G4B P0C869 1/20 0.47
▸ SRD5A2 P31213 2/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ TBXAS1 P24557 1/20 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
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 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
SCHEMBL4984973 0.84 CA2 (0.48) FFAR1CA2TBXAS1LMNATSHR
SCHEMBL9515149 0.84 POLB (0.53) FFAR1HTTKDM4EPOLB
SCHEMBL8012112 0.84 FFAR1 (0.50) FFAR1PTGS1AKR1C3AKR1C2CA2
SCHEMBL16774337 0.82 CA2 (0.49) FFAR1PTGS1AKR1C3AKR1C2CA2
SCHEMBL7399916 0.81 ALDH1A1 (0.52) FFAR1LMNAGAAHTTKDM4E
SCHEMBL5271430 0.81 PLA2G4B (0.54) FFAR1PLA2G4BTBXAS1LMNAKDM4E
SCHEMBL5266596 0.80 PLA2G4B (0.56) FFAR1PLA2G4BTBXAS1LMNAKDM4E
SCHEMBL13906054 0.79 FFAR1 (0.48) FFAR1LMNAKDM4E
SCHEMBL11683055 0.79 PLA2G4B (0.61) FFAR1PTGS1CA2CAMK2APLA2G4B
SCHEMBL19679584 0.78 SRD5A2 (0.54) FFAR1CA2CAMK2APLA2G4BSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977118-A 6-substituted pyrazolo[3,4-d]pyrimidin-4-ones and compositions and methods of use thereof SANOFI (FR) 1999-11-02 — — US disclosed
EP-0813527-A4 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP INC (US) 1998-09-09 — — EP disclosed
EP-0813527-A1 6-SUBSTITUTED PYRAZOLO 3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI PHARMACEUTICALS, INC. (US) 1997-12-29 — — EP disclosed
US-5656629-A CYCLIC GUANOSINE MONOPHSPHATE-PHOSPHODIESTERASE INHIBITOR; USEFUL FOR TREATING HEART FAILURE AND/OR HYPERTENSION SANOFI WINTHROP, INC. (US) 1997-08-12 — — US disclosed
WO-1996028429-A1 6-SUBSTITUTED PYRAZOLO [3,4-d] PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 — — WO disclosed
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