SCHEMBL7998541

SCHEMBL7998541

CCOC(=O)CN(CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LTA4H P09960 1/20 0.42
PPID Q08752 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6676150 0.90 L3MBTL1 (0.46) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL1052780 0.87 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2SMN1; SMN2
SCHEMBL7730448 0.87 HDAC1 (0.45) ALOX5MEN1NPC1RAB9AKMT2A
SCHEMBL6676419 0.86 L3MBTL1 (0.43) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL3914953 0.85 ALOX5 (0.46) ALOX5HDAC3HDAC1HDAC2NCOR2
SCHEMBL21228462 0.85 HDAC3 (0.45) ALOX5HDAC3HDAC1HDAC2NCOR2
SCHEMBL3050230 0.85 MEN1 (0.46) ALOX5MEN1NPC1RAB9AKMT2A
SCHEMBL4781274 0.84 HDAC3 (0.48) ALOX5MEN1NPC1RAB9AKMT2A
SCHEMBL18845331 0.82 HDAC3 (0.50) ALOX5MEN1NPC1RAB9AKMT2A
SCHEMBL8610350 0.82 KDM4E (0.45) MEN1NPC1RAB9AKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294549-B1 COMPOUNDS USEFUL FOR INHIBITING RESTENOSIS, ANGIOGENESIS, ATHEROSCLEROSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, INFLAMMATION OR TUMOR GROWTH. MERCK & CO., INC. 2001-09-25 US disclosed
US-5952306-A INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND INHIBITING THE AGGREGATION OF BLOOD PLATELETS; INHIBITING OSTEOCLAST CELLULAR ADHESION TO BONE SURFACES MERCK & CO., INC. (US) 1999-09-14 US disclosed