SCHEMBL4449156

SCHEMBL4449156

O=P(CCCO)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAAA Q02083 1/20 0.32
EPHX1 P07099 2/20 0.31

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
SCHEMBL4455006 0.94 ACHE (0.39) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL4448634 0.90 PPARD (0.35)
SCHEMBL4460516 0.88 ACHE (0.42) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL4452127 0.84 PPARD (0.34)
SCHEMBL6361086 0.83 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL4451300 0.81 ACHE (0.44) ACHENPSR1MEN1KMT2AGAA
SCHEMBL28982523 0.81 ACHE (0.40) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL11148024 0.81 ACHE (0.40) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL2480514 0.79 ACHE (0.45) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL28674349 0.79 ACHE (0.39) ACHENPSR1MEN1KMT2ALMNA

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed