SCHEMBL11115887

SCHEMBL11115887

COc1cc2c(c(Cl)c1Cl)CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
NOTUM Q6P988 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
S100A4 P26447 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36

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
SCHEMBL11708180 0.90 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3967795 0.86 KDM4E (0.54) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL5612688 0.79 KDM4E (0.67) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7998453 0.76 KDM4E (0.54) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6113045 0.76 KDM4E (0.64) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL30888574 0.76 ALDH1A1 (0.40) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL4852334 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL4036037 0.73 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL21887768 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7117998 0.72 KDM4E (0.58) KDM4EALDH1A1HPGDGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027948-B1 TETRAHYDRO-FLUORENE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF MERCK & CO. INC. (US) 1984-03-21 EP disclosed
US-4356314-A [5,6,9A-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids, their analogs, esters, salts, and derivatives MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4356313-A [(5,6,9a-substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acid esters and their analogs, the parent acids and their salts MERCK & CO., INC. (US) 1982-10-26 US disclosed
US-4337354-A BRAIN AND SPINAL CHORD DAMAGE MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4317922-A [(5,6,9a-Substituted-3-oxo-1,2,9,9a-tetrahydro-3H-fluoren-7-yl)oxy]alkanoic and cycloalkanoic acids and their analogs, esters, salts and derivatives MERCK & CO., INC. (US) 1982-03-02 US disclosed
US-4316043-A ANTIEDEMIC AGENTS MERCK & CO., INC. (US) 1982-02-16 US disclosed
EP-0027948-A1 Tetrahydro-fluorene compounds, processes for their preparation and pharmaceutical compositions thereof MERCK & CO. INC. (US) 1981-05-06 EP disclosed