SCHEMBL8984024

SCHEMBL8984024

CCCCCCCCCCCCOC(=O)C(CCCCCC)OC(C)=O.CCCCCCCCOC(=O)C(CCCCCC)OC(C)=O.CCCCCCOC(=O)C(CCCCCC)OC(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PRKCA P17252 2/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 3/20 0.39
EPHX1 P07099 1/20 0.39
HTR2C P28335 1/20 0.38
DGKA P23743 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37

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
SCHEMBL8983998 0.95 NAAA (0.47) NAAATSHRALDH1A1PRKCARAD52
SCHEMBL8550038 0.94 NAAA (0.59) NAAATSHRRAD52NPSR1FAAH
SCHEMBL4334515 0.92 TSHR (0.47) NAAATSHRALDH1A1PRKCARAD52
SCHEMBL6258273 0.92 TSHR (0.47) NAAATSHRALDH1A1PRKCARAD52
SCHEMBL10473435 0.92 TSHR (0.47) NAAATSHRALDH1A1PRKCARAD52
SCHEMBL8376617 0.92 TSHR (0.47) NAAATSHRALDH1A1PRKCARAD52
SCHEMBL8380705 0.92 TSHR (0.47) NAAATSHRALDH1A1PRKCARAD52
SCHEMBL8376851 0.89 ALDH1A1 (0.52) NAAATSHRALDH1A1PRKCAFAAH
SCHEMBL1681497 0.89 ALDH1A1 (0.52) NAAATSHRALDH1A1PRKCAFAAH
SCHEMBL15910275 0.89 ALDH1A1 (0.52) NAAATSHRALDH1A1PRKCAFAAH

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
EP-0713385-A1 CLEANSING COMPOSITIONS CONTAINING AN ALKANOATE AS CONDITIONER UNILEVER PLC (GB) 1996-05-29 EP disclosed
WO-1995005160-A1 CLEANSING COMPOSITIONS CONTAINING AN ALKANOATE AS CONDITIONER UNILEVER PLC (GB) 1995-02-23 WO disclosed