SCHEMBL6943499

SCHEMBL6943499

O=CCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAOB P27338 5/20 0.56
MAOA P21397 2/20 0.56
BCHE P06276 3/20 0.53
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
ALOX5 P09917 1/20 0.50
GSTP1 P09211 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
CYP1A2 P05177 2/20 0.48
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1009475 0.87 MAOB (0.68) MAOBMAOABCHECCNB2CDK1
SCHEMBL23536653 0.85 POLB (0.48) MEN1KMT2AMAOBMAOABCHE
SCHEMBL4674930 0.84 MEN1 (0.70) MEN1KMT2AMAOBMAOABCHE
SCHEMBL11382629 0.83 CTSV (0.47) MEN1KMT2AMAOBMAOALMNA
SCHEMBL42303 0.83 BCHE (0.65) MAOBMAOABCHEGSTP1CYP1A2
SCHEMBL578947 0.81 MAOB (0.75) MEN1KMT2AMAOBMAOACCNB2
SCHEMBL22265220 0.81 APP (0.60) MEN1KMT2AMAOBMAOABCHE
SCHEMBL4910007 0.81 MEN1 (0.62) MEN1KMT2AMAOBMAOABCHE
SCHEMBL8655992 0.79 MEN1 (0.61) MEN1KMT2AMAOBMAOABCHE
SCHEMBL7431563 0.79 MEN1 (0.56) MEN1KMT2AMAOBMAOABCHE

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
CN-110950765-B Preparation method of terbutaline sulfate 浙江医药高等专科学校 2022-07-12 CN claimed
CN-110950765-A Preparation method of terbutaline sulfate 浙江医药高等专科学校 2020-04-03 CN claimed
CN-110950765-B Preparation method of terbutaline sulfate 浙江医药高等专科学校 2022-07-12 CN disclosed
CN-110950765-A Preparation method of terbutaline sulfate 浙江医药高等专科学校 2020-04-03 CN disclosed
EP-1082121-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-1082121-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
WO-1999062520-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed
EP-0538416-B1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
EP-0538416-A4 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
US-5232948-A SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-08-03 US disclosed
EP-0538416-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-04-28 EP disclosed
WO-1992004315-A1 SUBSTITUTED MONOCYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-03-19 WO disclosed