SCHEMBL4448725

SCHEMBL4448725

CCCc1cccc(P(=O)(O)OC2CC2)c1CCC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DAO P14920 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
SCHEMBL4458064 0.94 NPSR1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL4458041 0.90 ALOX5 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL4448724 0.86 MEN1 (0.31) LTB4RLTB4R2MEN1KMT2A
SCHEMBL4458095 0.85 GABRA1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL4454288 0.84 MEN1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL4452201 0.83 ALDH1A1 (0.47) ALDH1A1LTB4RLTB4R2MEN1KMT2A
SCHEMBL4462488 0.81 LTB4R (0.34) ALDH1A1LTB4RLTB4R2MEN1KMT2A
SCHEMBL4458061 0.80 MEN1 (0.36) MEN1KMT2A
SCHEMBL4454045 0.79 PLA2G2D (0.40) ALDH1A1LTB4RLTB4R2MEN1KMT2A
SCHEMBL4461971 0.78 KMT2A (0.39) ALDH1A1MEN1KMT2A

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