SCHEMBL13697281

SCHEMBL13697281

C=CCOCC(COc1ccccc1)OCCC(O)CS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA7 P43166 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ CA4 P22748 3/20 0.35
▸ CYP2D6 P10635 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ADRB2 P07550 3/20 0.32
▸ ADRB1 P08588 3/20 0.32
▸ CA12 O43570 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ ADRB3 P13945 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24494610 0.77 LMNA (0.42) CA1CA2CA7CA9CA4
SCHEMBL24961174 0.77 CYP2D6 (0.44) CA1CA2CA7CYP2D6LMNA
SCHEMBL14168750 0.76 LTA4H (0.41) LMNAMEN1KMT2A
SCHEMBL2695272 0.76 PLA2G2A (0.34) CA1CA2CA7CA9LMNA
SCHEMBL13085598 0.75 LMNA (0.37) CYP2D6LMNAMEN1KMT2AKDM4E
SCHEMBL13656370 0.74 ALDH1A1 (0.42) CYP2D6LMNAADRB2ADRB1MEN1
SCHEMBL15233296 0.74 KAT6A (0.34) CA1CA2CA7CA9CYP2D6
SCHEMBL16437160 0.74 CA1 (0.36) CA1CA2CA7CA9CA4
SCHEMBL13713920 0.73 MEN1 (0.41) CYP2D6LMNAADRB2ADRB1MEN1
SCHEMBL13656373 0.73 ALDH1A1 (0.41) CYP2D6LMNAMEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653010-B2 Methods of using reactive surfactants in subterranean operations HALLIBURTON ENERGY SERVICES, INC. (US) 2014-02-18 — — US disclosed
US-20090221454-A1 Methods of Using Reactive Surfactants in Subterranean Operations HALLIBURTON ENERGY SERVICES, INC. 2009-09-03 — — US disclosed
US-7363978-B2 Methods of using reactive surfactants in subterranean operations HALLIBURTON ENERGY SERVICES, INC. (US) 2008-04-29 — — US disclosed
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