SCHEMBL11117360

SCHEMBL11117360

C=C(C(=O)OCCCCCC)C(CCCCCC)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
GPR84 Q9NQS5 5/20 0.44
NAAA Q02083 1/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40

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
SCHEMBL15156605 1.00 TSHR (0.57) TSHRGPR84NAAAFFAR1MAPT
SCHEMBL15157020 0.97 TSHR (0.53) TSHRGPR84NAAAFFAR1MAPT
SCHEMBL15156041 0.95 TSHR (0.50) TSHRGPR84NAAAFFAR1MAPT
SCHEMBL8757961 0.90 TSHR (0.47) TSHRGPR84NAAAFFAR1HCAR2
SCHEMBL17848563 0.83 TSHR (0.61) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL689149 0.83 TSHR (0.61) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL15066530 0.82 TSHR (0.59) TSHRNAAALCKPPARDZDHHC20
SCHEMBL27471248 0.82 TSHR (0.59) TSHRGPR84NAAAFFAR1HCAR2
SCHEMBL27480727 0.82 TSHR (0.59) TSHRGPR84NAAAFFAR1HCAR2
SCHEMBL5432582 0.82 TSHR (0.59) TSHRNAAAMAPTHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112167-A1 Alkali metal salts of cross-linked polymeric microgels as nucleating agents for polyethylene terephthalate moulding compositions CELANESE CORPORATION (US) 1984-06-27 EP disclosed