SCHEMBL8697696

SCHEMBL8697696

COC(COc1ccc2oc(C(=O)O)c(C)c2c1)OC

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.70
ALDH1A1 P00352 6/20 0.53
MCL1 Q07820 1/20 0.52
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GPR35 Q9HC97 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL4763073 0.81 KDM4E (0.78) KDM4EALDH1A1MCL1NPC1RAB9A
SCHEMBL9989066 0.81 KDM4E (0.80) KDM4EALDH1A1MCL1NPC1RAB9A
SCHEMBL8696622 0.80 KDM4E (0.74) KDM4EALDH1A1MCL1NPC1RAB9A
SCHEMBL10488237 0.76 KDM4E (0.68) KDM4EALDH1A1MCL1NPC1RAB9A
SCHEMBL30621954 0.76 KDM4E (0.67) KDM4EALDH1A1MCL1NPC1RAB9A
SCHEMBL26602361 0.76 KDM4E (0.67) KDM4EALDH1A1MCL1NPC1RAB9A
SCHEMBL8696624 0.74 ATM (0.61) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL31453039 0.73 KDM4E (0.60) KDM4EALDH1A1MCL1NPC1RAB9A
SCHEMBL31453064 0.72 KDM4E (0.62) KDM4EALDH1A1MCL1NPC1RAB9A
SCHEMBL1065472 0.72 MCL1 (0.71) KDM4EALDH1A1MCL1NPC1RAB9A

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-5767133-A Secondary amines as antidiabetic and antiobesity agents PFIZER INC. (US) 1998-06-16 US disclosed
EP-0703911-B1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1997-07-02 EP disclosed
US-5627200-A β3 -Adrenoceptor agonists and antagonists for the treatment of intestinal motility disorders, depression, prostate disease and dyslipidemia PFIZER INC (US) 1997-05-06 US disclosed
EP-0703911-A1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029290-A1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER INC. (US) 1994-12-22 WO disclosed