SCHEMBL8614787

SCHEMBL8614787

Cc1nc(C(C)(C)C)c(C(=O)C(C)(C)C)o1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.33
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8615319 0.80 HSD17B10 (0.43) FBP1HSD17B10USP2POLBMAPT
SCHEMBL9424430 0.79 FBP1 (0.47) FBP1ALDH1A1HPGD
SCHEMBL12391743 0.68 FBP1 (0.33) FBP1
SCHEMBL12556558 0.68
SCHEMBL9302713 0.67 IKBKB (0.47) HSD17B10USP2POLBTSHRHTT
SCHEMBL21155457 0.64
SCHEMBL21720700 0.64
SCHEMBL21720258 0.64
SCHEMBL21720650 0.64
SCHEMBL21190088 0.63 ALDH1A1 (0.40) FBP1MAPTALDH1A1HPGD

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US claimed
EP-0707573-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP claimed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP claimed
WO-1995001967-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO claimed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO claimed
EP-0569491-A4 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS 1993-11-24 EP claimed
EP-0569491-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-11-18 EP claimed
WO-1992013536-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-20 WO claimed
US-5747515-A Heterocyclic compounds and compositions having nevropharmacological potential ASTRA AKTIEBOLAG (SE) 1998-05-05 US disclosed
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 US disclosed
EP-0707573-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP disclosed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP disclosed
US-5432181-A Substituted heteroaryl analogs of 4,6-di-tertiary-butyl-5-hydroxy-1,3-pyrimidines useful as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1995-07-11 US disclosed
EP-0569491-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-11-18 EP disclosed
US-5248682-A Inhibitors of lipoxygenase and cyclooxygenase WARNER-LAMBERT COMPANY (US) 1993-09-28 US disclosed
WO-1993005039-A1 5-HYDROXY-2-PYRIMIDINYLMETHYLENE DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-18 WO disclosed
US-5177079-A Antiallergen, antiulcer WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
WO-1992013844-A1 SUBSTITUTED 4,6-DI-TERTIARY-BUTYL-5-HYDROXY-PYRIMIDINES WARNER-LAMBERT COMPANY (US) 1992-08-20 WO disclosed
WO-1992013536-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-20 WO disclosed