SCHEMBL8375591

SCHEMBL8375591

CCCCCCOC(=O)C(CC)OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 2/20 0.48
EPHX1 P07099 1/20 0.46
PRKCA P17252 2/20 0.43
CES2 O00748 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 2/20 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
SCHEMBL27798764 0.93 ALDH1A1 (0.57) TSHRNAAAALDH1A1EPHX1PRKCA
SCHEMBL8380705 0.88 TSHR (0.47) TSHRNAAAALDH1A1EPHX1PRKCA
SCHEMBL6258273 0.88 TSHR (0.47) TSHRNAAAALDH1A1EPHX1PRKCA
SCHEMBL10473435 0.88 TSHR (0.47) TSHRNAAAALDH1A1EPHX1PRKCA
SCHEMBL8376617 0.88 TSHR (0.47) TSHRNAAAALDH1A1EPHX1PRKCA
SCHEMBL4334515 0.88 TSHR (0.47) TSHRNAAAALDH1A1EPHX1PRKCA
SCHEMBL8983998 0.86 NAAA (0.47) TSHRNAAAALDH1A1EPHX1PRKCA
SCHEMBL8375613 0.84 NAAA (0.61) TSHRNAAAALDH1A1EPHX1HCAR2
SCHEMBL1681497 0.84 ALDH1A1 (0.52) TSHRNAAAALDH1A1EPHX1PRKCA
SCHEMBL8376851 0.84 ALDH1A1 (0.52) TSHRNAAAALDH1A1EPHX1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105324689-B Infrared shield piece and its manufacturing method with and application thereof 日本化药株式会社 2018-10-30 CN disclosed
EP-0713385-B1 CLEANSING COMPOSITIONS CONTAINING AN ALKANOATE AS CONDITIONER UNILEVER PLC (GB) 1999-03-24 EP disclosed