SCHEMBL6763786

SCHEMBL6763786

O=C(CCCCCCC(=O)NOCc1ccccc1)NOCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.74
NCOR2 Q9Y618 1/20 0.74
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALOX5 P09917 1/20 0.53
EPHX2 P34913 1/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49

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
SCHEMBL9191952 0.98 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL1377409 0.95 HDAC3 (0.68) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL1374654 0.95 HDAC3 (0.68) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL449555 0.94 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL8081432 0.94 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL5794325 0.94 HDAC3 (0.67) HDAC3NCOR2NPC1RAB9AHDAC1
SCHEMBL3057437 0.94 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL8163537 0.94 HDAC3 (0.67) HDAC3NCOR2HDAC1HDAC2HDAC8
SCHEMBL4230565 0.94 HDAC3 (0.71) HDAC3NCOR2NPC1RAB9AMEN1
SCHEMBL9191954 0.93 HDAC3 (0.66) HDAC3NCOR2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38506-E1 HYDROXYLAMIDE AND BENZYLAMIDE FUNCTIONALIZED; ANTIPROLIFERA-TIVE AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-04-20 US disclosed
US-6087367-A INHIBITING PROLIFERATION OF TUMOR CELLS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2000-07-11 US disclosed
EP-0642509-B1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF SLOAN KETTERING INST CANCER (US) 1999-08-11 EP disclosed
EP-0760657-A4 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF SLOAN KETTERING INST CANCER (US) 1998-08-05 EP disclosed
US-5700811-A ADMINISTERING COMPOUNDS CONTAINING HYDROXAMIC ACID GROUPS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-12-23 US disclosed
EP-0760657-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1997-03-12 EP disclosed
WO-1995031977-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1995-11-30 WO disclosed
EP-0642509-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1995-03-15 EP disclosed
EP-0642509-A4 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF. SLOAN KETTERING INST CANCER (US) 1995-01-31 EP disclosed
US-5369108-A Antitumor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-11-29 US disclosed
WO-1993007148-A1 NOVEL POTENT INDUCERS OF TERMINAL DIFFERENTIATION AND METHODS OF USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-04-15 WO disclosed