SCHEMBL5808153

SCHEMBL5808153

Cc1cccc(OC[C]=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.56
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1632207 0.84 KDM4E (0.50) MAPTLMNARAB9AALDH1A1MEN1
SCHEMBL7404589 0.81 HTR1B (0.51) HTR1BMAPTLMNARAB9AL3MBTL1
SCHEMBL17759417 0.81 HTR1B (0.51) HTR1BMAPTLMNARAB9AL3MBTL1
SCHEMBL2090752 0.79 HTR1B (0.58) HTR1BMAPTLMNARAB9AL3MBTL1
SCHEMBL5803965 0.78 SCN4A (0.47) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL5929458 0.77 HTR1B (0.71) HTR1BMAPTLMNAALDH1A1MEN1
SCHEMBL6298723 0.77 KDM4E (0.41) MAPTLMNARAB9AL3MBTL1ALDH1A1
SCHEMBL8220927 0.75 HTR1B (0.58) HTR1BMAPTLMNARAB9AL3MBTL1
SCHEMBL13685153 0.74 HTR1B (0.56) HTR1BMAPTLMNARAB9AL3MBTL1
SCHEMBL1336831 0.74 MAPT (0.50) HTR1BMAPTLMNARAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
US-5468470-A Radiation resistance and sunscreen agents 3V INC. (US) 1995-11-21 US disclosed
US-5362481-A Useful in cosmetics and dermatology 3V INC. (US) 1994-11-08 US disclosed
EP-0613893-A1 Benzofuran derivatives and the use thereof as stabilizers against UV radiations 3V SIGMA S.p.A (IT) 1994-09-07 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed