SCHEMBL3293195

SCHEMBL3293195

COc1cc(OC)cc(C(C)(C)OC(=O)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
RXRA P19793 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4067388 0.83 ALDH1A1 (0.42) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL152720 0.81 ALDH1A1 (0.41) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL16226047 0.81 ALDH1A1 (0.41) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL28194094 0.79 ALDH1A1 (0.38) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL7745390 0.79 GAA (0.39) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL28343695 0.79 GABRA1 (0.43) POLBRXRASMN1; SMN2TP53CYP3A4
SCHEMBL13707130 0.77 ALDH1A1 (0.37) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL11307727 0.77 CA1 (0.39) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL1052578 0.77 KDM4E (0.41) ALDH1A1GAAKDM4ECA1CA2
SCHEMBL1873446 0.77 ALDH1A1 (0.44) ALDH1A1GAAKDM4ECA1CA2

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-7727434-B2 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY (US) 2010-06-01 US disclosed
US-20070039874-A1 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY 2007-02-22 US disclosed