SCHEMBL6274882

SCHEMBL6274882

OCCC(O)c1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR3A P46098 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
HIF1A Q16665 1/20 0.31
TRPA1 O75762 1/20 0.31
ALOX15 P16050 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29191773 0.89 RIPK1 (0.34) RIPK1LMNATAAR1KDM4EL3MBTL1
SCHEMBL29191903 0.87 PTGER2 (0.36) RIPK1LMNA
SCHEMBL29191905 0.85 PTGER2 (0.38) RIPK1
SCHEMBL29191984 0.85 PTGER2 (0.38) RIPK1
SCHEMBL28364 0.81 TSHR (0.37) LMNATAAR1KDM4EL3MBTL1HTR3A
SCHEMBL317303 0.80 LMNA (0.40) RIPK1LMNATAAR1KDM4EL3MBTL1
SCHEMBL21750404 0.80 TAAR1 (0.39) RIPK1LMNATAAR1KDM4EHTR3A
SCHEMBL22399245 0.80 LMNA (0.40) RIPK1LMNATAAR1KDM4EL3MBTL1
Water SCHEMBL27676524 0.79 RIPK1 (0.55) RIPK1LMNAKDM4EL3MBTL1TSHR
SCHEMBL317461 0.78 KDM4E (0.42) RIPK1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683014-A Thioxanthone photoinitiator containing chalcone structure and preparation and application thereof 大连理工大学 2024-03-12 CN claimed
US-4066773-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-03 US claimed
CN-117683014-A Thioxanthone photoinitiator containing chalcone structure and preparation and application thereof 大连理工大学 2024-03-12 CN disclosed
WO-2005123671-A1 PYRROLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-12-29 WO disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1079821-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1079821-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-07 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1999059570-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed