SCHEMBL6571593

SCHEMBL6571593

OCCNc1cccc(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.60
CYP4A11 Q02928 1/20 0.60
SPHK2 Q9NRA0 1/20 0.58
SPHK1 Q9NYA1 1/20 0.58
FFAR1 O14842 1/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
THRB P10828 2/20 0.56
PKM P14618 2/20 0.56
RAB9A P51151 2/20 0.56
BLM P54132 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
CTSV O60911 1/20 0.54
CTSL P07711 1/20 0.54
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53

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
SCHEMBL5310163 0.83 MEN1 (0.68) FFAR1MEN1ALDH1A1MAPTTHRB
SCHEMBL20565351 0.82 MAOB (0.56) FFAR1MEN1ALDH1A1MAPTTHRB
SCHEMBL13123460 0.81 FFAR1 (0.56) CYP4F2CYP4A11FFAR1MEN1ALDH1A1
SCHEMBL28079813 0.81 MAOB (0.58) CYP4F2CYP4A11FFAR1MEN1ALDH1A1
SCHEMBL8167077 0.81 MAOB (0.58) CYP4F2CYP4A11FFAR1MEN1ALDH1A1
SCHEMBL12342039 0.81 SYK (0.52) MEN1ALDH1A1MAPTTHRBKMT2A
SCHEMBL5287947 0.81 FFAR1 (0.62) SPHK2SPHK1FFAR1MEN1ALDH1A1
SCHEMBL14032176 0.80 BCHE (0.64) CYP4F2CYP4A11FFAR1MEN1ALDH1A1
SCHEMBL29683508 0.80 BCHE (0.64) CYP4F2CYP4A11FFAR1MEN1ALDH1A1
SCHEMBL9145377 0.80 POLB (0.51) MEN1MAPTKMT2AGAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed