SCHEMBL2323735

SCHEMBL2323735

CC(C)(C)OC1=CC(=O)C=CC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.58
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL28436924 0.78 ERBB2 (0.54) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL49620 0.73 ERBB2 (1.00) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL8582723 0.71 ERBB2 (0.50) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL28113764 0.70 ERBB2 (0.91) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL1957619 0.69 ERBB2 (0.58) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL1067701 0.69 ERBB2 (0.58) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL27645404 0.69 ERBB2 (0.58) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL28861798 0.69 ERBB2 (0.58) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL1524084 0.68 ERBB2 (0.58) ERBB2MAOAMAOBMEN1MAPT
SCHEMBL8582510 0.68 ERBB2 (0.58) ERBB2MAOAMAOBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026994-A Chiral resolution method of R- (+) -lipoic acid 南京桦冠生物技术有限公司 2024-05-14 CN disclosed
US-10744146-B2 Composition having effects of preventing or ameliorating conditions or diseases caused by brain hypofunction SUNTORY HOLDINGS LIMITED (JP) 2020-08-18 US disclosed
EP-1419768-B1 COMPOSITIONS HAVING EFFECTS OF PREVENTING OR AMELIORATING CONDITIONS OR DISEASES CAUSED BY BRAIN HYPOFUNCTION SUNTORY HOLDINGS LTD (JP) 2011-08-17 EP disclosed
US-20040266874-A1 Composition having effects of preventing or ameliorating conditions or diseases caused by brain hypofunction SUNTORY HOLDINGS LIMITED (JP) 2004-12-30 US disclosed
EP-1419768-A1 COMPOSITIONS HAVING EFFECTS OF PREVENTING OR AMELIORATING CONDITIONS OR DISEASES CAUSED BY BRAIN HYPOFUNCTION SUNTORY LIMITED (JP) 2004-05-19 EP disclosed
EP-0729753-B1 Use of dioxabicyclo[3.3.0]actanes for treatment and prevention of cerebral apoplexy SUNTORY LTD (JP) 2000-05-10 EP disclosed
US-5889046-A ADMINISTERING DIOXABICYLCO(3,3,0)OCTANE DERIVATIVE TO THE PATIENT SUFFERING FROM HYPERTENSION OR MEDICAL SYMPTOMS CAUSED BY IT SUNTORY LIMITED (JP) 1999-03-30 US disclosed
EP-0729753-A1 Agents for treatment or prevention of hypertension and related symptons and disorders; their preparation and use SUNTORY LIMITED (JP) 1996-09-04 EP disclosed