SCHEMBL13309593

SCHEMBL13309593

CCCCOc1cc(CCl)cc(CCl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NR5A1 Q13285 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ CYP2D6 P10635 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39

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
SCHEMBL16440321 0.96 PLA2G2A (0.44) LTA4HTSHRNR5A1PLA2G2ACYP2D6
SCHEMBL17407552 0.94 PLA2G2A (0.47) LTA4HTSHRNR5A1PLA2G2ANPC1
SCHEMBL5086925 0.88 PLA2G2A (0.54) TSHRNR5A1PLA2G2ANPC1RAB9A
SCHEMBL5095096 0.88 PLA2G2A (0.54) TSHRNR5A1PLA2G2ANPC1RAB9A
SCHEMBL5088808 0.88 PLA2G2A (0.54) TSHRNR5A1PLA2G2ANPC1RAB9A
SCHEMBL2016293 0.88 PLA2G2A (0.54) TSHRNR5A1PLA2G2ANPC1RAB9A
SCHEMBL5086807 0.88 PLA2G2A (0.54) TSHRNR5A1PLA2G2ANPC1RAB9A
SCHEMBL2771611 0.83 LTA4H (0.46) LTA4HNR5A1PLA2G2ACYP2D6CYP3A4
SCHEMBL9690478 0.81 TSHR (0.51) LTA4HTSHRCYP2D6KDM4E
SCHEMBL2995440 0.81 TSHR (0.56) LTA4HTSHRNR5A1CYP2D6CYP3A4

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
EP-1923473-B1 Bis-diglycolamides (BISDGA) as new extractants for lanthanides [Ln(III)] and actinides [An(III)] from aqueous high-level wastes UNIV MADRID AUTONOMA (ES) 2010-06-23 — — EP disclosed
EP-1923473-A1 Bis-diglycolamides (BISDGA) as new extractants for lanthanides [Ln(III)] and actinides [An(III)] from aqueous high-level wastes Universidad Autónoma de Madrid (ES) 2008-05-21 — — EP disclosed
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