SCHEMBL5377217

SCHEMBL5377217

CCCCCC(C)[O-].CCCCCC(C)[O-].CCCCCC(C)[O-].CCCCCC(C)[O-].[Sn+4]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
CA1 P00915 2/20 0.46
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
DNM1 Q05193 2/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
CA2 P00918 1/20 0.38
FDPS P14324 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
SCHEMBL28623631 0.94
SCHEMBL13570879 0.94 OPRM1 (0.50) OPRM1CA1SPHK1LMNATP53
SCHEMBL13570530 0.94 OPRM1 (0.50) OPRM1CA1SPHK1LMNATP53
SCHEMBL6432212 0.92 CA1 (0.48) OPRM1CA1SPHK1LMNADNM1
SCHEMBL27585967 0.92 CA1 (0.48) OPRM1CA1SPHK1LMNADNM1
SCHEMBL16144953 0.92 OPRM1 (0.48) OPRM1CA1SPHK1LMNADNM1
SCHEMBL16144948 0.92 OPRM1 (0.48) OPRM1CA1SPHK1LMNADNM1
Potassium Ion SCHEMBL27585969 0.92 OPRM1 (0.48) OPRM1CA1SPHK1LMNADNM1
SCHEMBL10673719 0.92 OPRM1 (0.48) OPRM1CA1SPHK1LMNADNM1
SCHEMBL16144945 0.92 OPRM1 (0.48) OPRM1CA1SPHK1LMNADNM1

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
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed