SCHEMBL4087075

SCHEMBL4087075

CCOC(=O)CCCCCCCCCCCCCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DGKA P23743 1/20 0.48
GAA P10253 1/20 0.47
KDM4C Q9H3R0 2/20 0.46
KDM4A O75164 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.44
PAM P19021 2/20 0.44

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
SCHEMBL18058738 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL27952099 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL17000166 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL19861152 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL29074095 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL27896610 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL2209491 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL17000165 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL15130566 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL952321 0.98 CYP1A2 (0.55) CYP1A2KMT2AMAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993580-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION Moleac Pte Ltd. (SG) 2008-11-26 EP claimed
WO-2007106049-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION MOLEAC PTE LTD (SG) 2007-09-20 WO claimed
CN-115025017-A Ligusticum wallichii and cimicifugae foetidae mixed enzymatic hydrolysate and application thereof 齐鲁工业大学 2022-09-09 CN disclosed
CN-115025016-A Ligusticum wallichii enzymatic hydrolysate and application thereof 齐鲁工业大学 2022-09-09 CN disclosed
CN-113648393-A Fermented traditional Chinese medicine composition for preventing salpingitis of laying hens and improving laying performance of laying hens 聊城大学 2021-11-16 CN disclosed
CN-104597153-B Assay method of ligusticum wallichii fingerprint 上海现代中医药股份有限公司 2017-02-01 CN disclosed
CN-104569268-B A kind of assay method of Rhizoma Chuanxiong volatile oil clathrate finger printing 上海现代中医药股份有限公司 2016-11-02 CN disclosed
CN-104597153-A Assay method of ligusticum wallichii fingerprint SHANGHAI SUNDISE TRADITIONAL CHINESE MEDICINE CO LTD 2015-05-06 CN disclosed
CN-104569268-A Testing method of ligusticum chuanxiong hort volatile oil inclusion compound fingerprint spectrum SHANGHAI SUNDISE TRADITIONAL CHINESE MEDICINE CO LTD 2015-04-29 CN disclosed
CN-103013630-A Liquid lubricant NANTONG HUADONG HYDRAULIC & LUBRICATE EQUIPMENT CO LTD 2013-04-03 CN disclosed
EP-2508191-A1 Combination therapy for treatment of patients with neurological disorders and cerebral infarction Moleac Pte Ltd. (SG) 2012-10-10 EP disclosed
US-20090162459-A1 Combination Therapy for Treatment of Patients with Neurological Disorders and Cerebral Infarction MOLEAC PTE. LTD (SG) 2009-06-25 US disclosed
EP-1993580-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION Moleac Pte Ltd. (SG) 2008-11-26 EP disclosed
WO-2007106049-A1 COMBINATION THERAPY FOR TREATMENT OF PATIENTS WITH NEUROLOGICAL DISORDERS AND CEREBRAL INFARCTION MOLEAC PTE LTD (SG) 2007-09-20 WO disclosed