SCHEMBL22497686

SCHEMBL22497686

CCCCCCCCCCCCCCCCC(OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.58
PPARG P37231 3/20 0.55
PPARA Q07869 2/20 0.55
CETP P11597 3/20 0.52
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
HDAC2 Q92769 2/20 0.48
CNR2 P34972 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46

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
SCHEMBL1358807 1.00 CTRC (0.58) CTRCPPARGPPARACETPPTGES
SCHEMBL1358810 1.00 CTRC (0.58) CTRCPPARGPPARACETPPTGES
SCHEMBL27269693 1.00 CTRC (0.58) CTRCPPARGPPARACETPPTGES
SCHEMBL5508983 0.98 CTRC (0.56) CTRCPPARGPPARACETPPTGES
SCHEMBL830484 0.94 PPARG (0.57) CTRCPPARGPPARACETPPTGES
SCHEMBL30966217 0.93 CTRC (0.53) CTRCPPARGPPARACETPPTGES
SCHEMBL8984441 0.90 CTRC (0.55) CTRCPPARGPPARACETPPTGES
SCHEMBL27700677 0.90 CETP (0.51) CTRCCETPHDAC2CNR2
SCHEMBL10613418 0.89 CTRC (0.54) CTRCPPARGPPARACETPPTGES
SCHEMBL2638928 0.88 CETP (0.50) CTRCPPARGPPARACETPHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113930249-B Benzyloxy-oleoyl quaternary ammonium surfactant and its preparation method and use 华东理工大学 2022-11-22 CN disclosed
CN-113930249-A Benzyloxy-oleoyl quaternary ammonium surfactant and its preparation method and use 华东理工大学 2022-01-14 CN disclosed
WO-2020200218-A1 MICROCAPSULE-TYPE TEMPERATURE CHANGE PIGMENT, PREPARATION METHOD THEREFOR AND USE THEREOF, AND TEMPERATURE CHANGE INK AND USE THEREOF 武汉中科先进技术研究院有限公司 2020-10-08 WO disclosed
CN-109943094-A A kind of microcapsule-type temperature variable pigments and its preparation method and application, a kind of temperature become ink and its application 武汉中科先进技术研究院有限公司 2019-06-28 CN disclosed