SCHEMBL4449151

SCHEMBL4449151

O=CCCP(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL4448629 0.90 AOX1 (0.33)
SCHEMBL4455004 0.89 ACHE (0.38) ACHE
SCHEMBL6361086 0.83 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL4460514 0.80 ACHE (0.42) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL4452122 0.78 HIF1A (0.35)
SCHEMBL4460516 0.76 ACHE (0.42) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL4454835 0.76 ACHE (0.47) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL28982521 0.76 ACHE (0.42) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL6347316 0.74 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL6347361 0.74 ACHE (0.41) 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