SCHEMBL3976207

SCHEMBL3976207

CCCCCCCCOc1cc(C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.60
THRA P10827 1/20 0.59
THRB P10828 1/20 0.59
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
RARB P10826 3/20 0.56
EGFR P00533 1/20 0.55
PLA2G4B P0C869 1/20 0.55

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
SCHEMBL6266857 1.00 PTPN11 (0.60) PTPN11THRATHRBALDH1A1HPGD
SCHEMBL10871798 1.00 PTPN11 (0.60) PTPN11THRATHRBALDH1A1HPGD
SCHEMBL8986588 1.00 PTPN11 (0.60) PTPN11THRATHRBALDH1A1HPGD
SCHEMBL8769895 1.00 PTPN11 (0.60) PTPN11THRATHRBALDH1A1HPGD
SCHEMBL4598873 1.00 PTPN11 (0.60) PTPN11THRATHRBALDH1A1HPGD
Hydrochloric Acid SCHEMBL8419150 0.99 PTPN11 (0.58) PTPN11THRATHRBALDH1A1HPGD
SCHEMBL3975412 0.91 THRA (0.56) PTPN11THRATHRBALDH1A1HPGD
SCHEMBL8419148 0.91 THRA (0.56) PTPN11THRATHRBALDH1A1HPGD
SCHEMBL9306503 0.91 THRA (0.56) PTPN11THRATHRBALDH1A1HPGD
Terephthalic Acid SCHEMBL10581511 0.89 RXRA (0.62) PTPN11THRATHRBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO disclosed
US-6139946-A Magnetic recording media incorporating a quaternary ammonium functional binder and magnetic pigment surface treated with compound having acidic and electron withdrawing functionalities IMATION CORP. (US) 2000-10-31 US disclosed
EP-0789579-A4 AZA CYCLOHEXAPEPTIDE COMPOUNDS MERCK & CO INC (US) 1998-04-29 EP disclosed
EP-0789579-A1 AZA CYCLOHEXAPEPTIDE COMPOUNDS Merck & Co., Inc. (US) 1997-08-20 EP disclosed
EP-0571278-B1 Antiferroelectric liquid crystal compound and process for producing the same SHOWA SHELL SEKIYU (JP) 1996-06-26 EP disclosed
US-5344586-A Antiferroelectric liquid crystal compound and process for producing the same SHOWA SHEEL SEKIYU KABUSHIKI KAISHA (JP) 1994-09-06 US disclosed
EP-0571278-A1 Antiferroelectric liquid crystal compound and process for producing the same Showa Shell Sekiyu Kabushiki Kaisha (JP) 1993-11-24 EP disclosed
EP-0302875-B1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1991-02-27 EP disclosed
EP-0341713-A2 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1989-11-15 EP disclosed
EP-0333760-A1 CYANO-ALICYCLIC ESTERS AND LIQUID CRYSTAL COMPOSITIONS. SECR DEFENCE BRIT (GB) 1989-09-27 EP disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP disclosed
WO-1988004290-A1 CYANO-ALICYCLIC ESTERS IN LIQUID CRYSTAL COMPOSITIONS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1988-06-16 WO disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed