SCHEMBL4461981

SCHEMBL4461981

CCCc1cccc(POc2ccccc2)c1CCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 3/20 0.32
PPARG P37231 2/20 0.32
LTA4H P09960 1/20 0.31
ELANE P08246 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
SCHEMBL4446484 0.88 LTA4H (0.36) LTB4RLTB4R2PPARAPPARGLTA4H
SCHEMBL4452341 0.80 ALOX5 (0.33) HPGDKDM4EALDH1A1GAALTB4R
SCHEMBL4460825 0.79 ELANE (0.32) HPGDKDM4EALDH1A1GAALTB4R
SCHEMBL4458137 0.78 LTB4R (0.33) LTB4RLTB4R2
SCHEMBL27948105 0.76 KDM4E (0.37) HPGDKDM4EALDH1A1GAALTB4R
SCHEMBL4458101 0.75 LTB4R (0.34) ALDH1A1LTB4RLTB4R2LTA4H
Bromide SCHEMBL31114317 0.74 KDM4E (0.36) HPGDKDM4EALDH1A1GAALTB4R
SCHEMBL4451816 0.74 HTR2A (0.30)
SCHEMBL27932082 0.72 KDM4E (0.41) HPGDKDM4EALDH1A1GAA
SCHEMBL4454847 0.72

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