SCHEMBL3463530

SCHEMBL3463530

CC(C)(C)CC(C)(C)c1ccc(OP(=O)(O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MDH1 P40925 3/20 0.44
MDH2 P40926 3/20 0.44
SHBG P04278 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 2/20 0.40
APAF1 O14727 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
ERBB2 P04626 2/20 0.40

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
SCHEMBL11323032 0.84 TDP1 (0.59) CA12CA1CA2CA4CA5A
SCHEMBL29034978 0.83 CA12 (0.56) CA12CA1CA2CA4CA5A
SCHEMBL6372311 0.82 CYP3A4 (0.54) CYP3A4SMN1; SMN2MDH1MDH2SHBG
SCHEMBL1354466 0.82 CYP3A4 (0.54) CA1CA2CYP3A4SMN1; SMN2MDH1
SCHEMBL3463527 0.81 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL28189498 0.81 CYP3A4 (0.44) CYP3A4SMN1; SMN2MDH1MDH2SHBG
SCHEMBL23671834 0.80 CYP3A4 (0.53) CYP3A4SMN1; SMN2MDH1MDH2SHBG
SCHEMBL6365436 0.80 CYP3A4 (0.53) CYP3A4SMN1; SMN2MDH1MDH2SHBG
SCHEMBL20819121 0.79 CA2 (0.71) CA12CA1CA2CA4CA5A
SCHEMBL2294008 0.78 ESR1 (0.54) CA12CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100224030-A1 INDIUM RECOVERY BY SUPPORTED LIQUID MEMBRANE WITH STRIP DISPERSION CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2010-09-09 US disclosed
US-6350419-B1 SUPPORTED LIQUID MEMBRANE/ STRIP DISPERSION FOR REMOVAL OF METALS COMMODORE SEPARATION TECHNOLOGIES INC. 2002-02-26 US disclosed
US-6291705-B1 AS EXTRACTANT USEFUL FOR THE REMOVAL AND RECOVERY OF METALS FROM WASTE WATERS AND PROCESS STREAMS COMMODORE SEPARATION TECHNOLOGIES, INC. 2001-09-18 US disclosed
WO-2001056933-A2 COMBINED SUPPORTED LIQUID MEMBRANE/STRIP DISPERSION PROCESSES AND EXTRACTANTS COMMODORE SEPARATION TECHNOLOGIES, INC. (US) 2001-08-09 WO disclosed