SCHEMBL4723682

SCHEMBL4723682

Cc1cc(C)cc(C(=O)c2ccccc2C(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
AKR1C3 P42330 3/20 0.70
ALDH1A1 P00352 5/20 0.64
CDC25B P30305 2/20 0.61
CDC25A P30304 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ATM Q13315 1/20 0.56
NR4A1 P22736 1/20 0.55
ALOX15 P16050 1/20 0.54
TPMT P51580 1/20 0.54
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8611491 0.85 POLB (1.00) POLBAKR1C3ALDH1A1CDC25BCDC25A
SCHEMBL29701296 0.82 AKR1C3 (1.00) POLBAKR1C3ALDH1A1CDC25BCDC25A
SCHEMBL503364 0.82 AKR1C3 (1.00) POLBAKR1C3ALDH1A1CDC25BCDC25A
SCHEMBL5313383 0.81 ALDH1A1 (0.70) POLBAKR1C3ALDH1A1CDC25BCDC25A
SCHEMBL28637350 0.81 AKR1C3 (0.96) POLBAKR1C3ALDH1A1CDC25BCDC25A
SCHEMBL27613844 0.80 POLB (0.54) POLBAKR1C3ALDH1A1CDC25BCDC25A
SCHEMBL14286947 0.79 ALDH1A1 (0.64) POLBALDH1A1ATMTPMTKMT2A
SCHEMBL12871193 0.79 MAPT (0.63) POLBAKR1C3ALDH1A1HSD17B10ALOX15
SCHEMBL6964513 0.79 AKR1C3 (0.58) POLBAKR1C3ALDH1A1CDC25BCDC25A
2-Benzoylbenzoic Acid SCHEMBL76332 0.79 AKR1C3 (1.00) POLBAKR1C3ALDH1A1CDC25BCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977040-B2 Sharp images; medical diagnosis; mixture of photosensitive silver halide emulsion, organic silver salt, reducing agents and binder on support FUJIFILM CORPORATION (JP) 2011-07-12 US disclosed
US-7977040-B2 Sharp images; medical diagnosis; mixture of photosensitive silver halide emulsion, organic silver salt, reducing agents and binder on support FUJIFILM CORPORATION (JP) 2011-07-12 US disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-0575425-B1 USE OF OXAZOLO- 2,3-a]ISOINDOLE AND IMIDAZO 2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO 2,3-a]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1995-10-11 EP disclosed
US-5397794-A Treatment of retrovirus BOEHRINGER MANNHEIM GMBH (DE) 1995-03-14 US disclosed
EP-0556245-B1 USE OF THIAZOLO-ISOINDOLINONE DERIVATIVES AS ANTIVIRAL MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1995-01-25 EP disclosed
EP-0575425-A1 USE OF OXAZOLO- 2,3-a]ISOINDOLE AND IMIDAZO 2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO 2,3-a]ISOINDOLE DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1993-12-29 EP disclosed
EP-0556245-A1 USE OF THIAZOLO-ISOINDOLINONE DERIVATIVES AS ANTIVIRAL MEDICAMENTS. BOEHRINGER MANNHEIM GMBH (DE) 1993-08-25 EP disclosed
WO-1992016207-A1 USE OF OXAZOLO-[2,3-a]ISOINDOLE AND IMIDAZO[2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO[2,3-a]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed
WO-1992008457-A1 USE OF THIAZOLO-ISOINDOLINONE DERIVATIVES AS ANTIVIRAL MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1992-05-29 WO disclosed
CN-1061341-A Thiazole and isodihydroazaindole ketone derivatives as antiviral drugs) BOEHRINGER MANNHEIM GMBH (DE) 1992-05-27 CN disclosed