SCHEMBL6899017

SCHEMBL6899017

CCCCCC(=O)OC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
LMNA P02545 3/20 0.47
PAM P19021 2/20 0.46
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
AKR1B1 P15121 1/20 0.43
TSHR P16473 1/20 0.43
FAAH O00519 1/20 0.42
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.42

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
SCHEMBL666141 0.98 DGKA (0.53) DGKALMNAPAMCES2CES1
SCHEMBL27593607 0.98 DGKA (0.53) DGKALMNAPAMCES2CES1
SCHEMBL31155339 0.98 DGKA (0.53) DGKALMNAPAMCES2CES1
SCHEMBL29126817 0.98 DGKA (0.53) DGKALMNAPAMCES2CES1
SCHEMBL8883996 0.98 DGKA (0.53) DGKALMNAPAMCES2CES1
SCHEMBL8882128 0.98 DGKA (0.53) DGKALMNAPAMCES2CES1
SCHEMBL6879249 0.94 ALDH1A1 (0.46) DGKALMNAPAMCES2CES1
SCHEMBL18126434 0.91 TSHR (0.40) DGKALMNAPAMALDH1A1MAPT
SCHEMBL18126426 0.89 DGKA (0.40) DGKALMNAPAMALDH1A1MAPT
SCHEMBL18126500 0.89 DGKA (0.40) DGKALMNAPAMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021253746-A1 USE OF DALBAVANCIN IN PREPARATION OF MEDICAMENT FOR INHIBITING BINDING OF SARS-COV-2 TO ACE2 中国科学院昆明动物研究所 2021-12-23 WO claimed
CN-116602963-A Application of verteporfin in preparation of medicines for inhibiting pulmonary fibrosis 中国人民解放军陆军特色医学中心 2023-08-18 CN disclosed
CN-113876796-A Application of coumarin beta in preparation of medicine for inhibiting TRiC activity by targeting CCT4 中国科学院昆明动物研究所 2022-01-04 CN disclosed
WO-2021253746-A1 USE OF DALBAVANCIN IN PREPARATION OF MEDICAMENT FOR INHIBITING BINDING OF SARS-COV-2 TO ACE2 中国科学院昆明动物研究所 2021-12-23 WO disclosed
CN-111686240-B Application of dalbavancin in preparation of medicines for inhibiting combination of SARS-CoV-2 and ACE2 中国科学院昆明动物研究所 2021-04-09 CN disclosed
CN-111686240-A Application of dalbavancin in preparation of medicines for inhibiting combination of SARS-CoV-2 and ACE2 中国科学院昆明动物研究所 2020-09-22 CN disclosed
JP-2004318111-A COLORED PHOTOSENSITIVE RESIN COMPOSITION SUMITOMO CHEM CO LTD 2004-11-11 JP disclosed