SCHEMBL1958993

SCHEMBL1958993

CCCCCCCCCCCCCCCCCC(C)CCC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ACE2 Q9BYF1 1/20 0.47
OPRM1 P35372 1/20 0.39
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 2/20 0.37
DNM1 Q05193 2/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35

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
SCHEMBL11796555 1.00 TSHR (0.54) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL12316261 1.00 TSHR (0.54) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL25126675 1.00 TSHR (0.54) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL1961904 1.00 TSHR (0.54) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL21091821 0.93 TSHR (0.56) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL21091828 0.93 TSHR (0.56) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL22296768 0.93 TSHR (0.56) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL23961107 0.93 TSHR (0.56) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL13068259 0.93 TSHR (0.56) TSHRACE2OPRM1PRKD3PRKCG
SCHEMBL31076284 0.93 TSHR (0.56) TSHRACE2OPRM1PRKD3PRKCG

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
EP-2513272-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT The Lubrizol Corporation (US) 2012-10-24 EP disclosed
EP-2513269-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT The Lubrizol Corporation (US) 2012-10-24 EP disclosed
WO-2011081835-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT THE LUBRIZOL CORPORATION (US) 2011-07-07 WO disclosed
WO-2011075403-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT THE LUBRIZOL CORPORATION (US) 2011-06-23 WO disclosed