SCHEMBL4436175

SCHEMBL4436175

C=C(C(=O)OCCCCCCCCCCCC)C(C=C(C)C(=O)O)C=C(C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
HCAR2 Q8TDS4 2/20 0.42
NAAA Q02083 1/20 0.40
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 1/20 0.38
FAAH O00519 2/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL9795667 0.86 TSHR (0.53) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL11317319 0.84 KDM4E (0.43) TSHRLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL8423616 0.80 TSHR (0.52) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL4356482 0.79 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL28075392 0.79 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL21360132 0.79 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL21817064 0.79 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL17063567 0.78 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL14660709 0.78 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL6274865 0.78 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1

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-2114353-A1 METHOD FOR IMPARTING A COSMETIC OR THERAPEUTIC BENEFIT TO A TOPICAL SURFACE AND PROCESS FOR MAKING AVON PRODUCTS, INC. (US) 2009-11-11 EP disclosed
WO-2008082750-A1 METHOD FOR IMPARTING A COSMETIC OR THERAPEUTIC BENEFIT TO A TOPICAL SURFACE AND PROCESS FOR MAKING AVON PRODUCTS, INC. (US) 2008-07-10 WO disclosed