SCHEMBL7208112

SCHEMBL7208112

O=C(NN1CCOCC1)OCCl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CYP2D6 P10635 1/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8714621 0.81 LIPE (0.57) LIPESMN1; SMN2CYP2D6ALDH1A1TSHR
SCHEMBL7206184 0.81 LIPE (0.47) LIPESMN1; SMN2ALDH1A1
SCHEMBL8939929 0.79 LIPE (0.48) LIPESMN1; SMN2CA12CA1CA2
SCHEMBL10703372 0.75 SMN1; SMN2 (0.46) LIPESMN1; SMN2CA12CA1CA2
SCHEMBL28242343 0.75 LIPE (0.50) LIPESMN1; SMN2CA12CA1CA2
SCHEMBL8586849 0.74 EPHX1 (0.51) LIPESMN1; SMN2
SCHEMBL910451 0.73 LIPE (0.53) LIPESMN1; SMN2CA12CA1CA2
SCHEMBL27461589 0.71 LIPE (0.45) LIPESMN1; SMN2CA12CA1CA2
SCHEMBL365772 0.71 EPHX2 (0.53) LIPESMN1; SMN2CA12CA1CA2
SCHEMBL2914249 0.71 TSHR (0.66) SMN1; SMN2CA12CA1CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38333-E1 Making tenofovir analogs and salts; use as viricides for HIV, retroviruses GILEAD SCIENCES, INC. 2003-11-25 US disclosed
EP-0915894-B1 NUCLEOTIDE ANALOGS GILEAD SCIENCES INC (US) 2003-05-14 EP disclosed
US-6069249-A CHEMICAL INTERMEDIATES; DETECTION LABELS FOR NUCLEOTIDE PROBES GILEAD SCIENCES, INC. (US) 2000-05-30 US disclosed
US-6043230-A Use of tenofovir disoproxil fumarate in treatment of HIV GILEAD SCIENCES, INC. (US) 2000-03-28 US disclosed
US-5977089-A ORALLY ADMINISTERING TENOFOVIR DERIVATIVES GILEAD SCIENCES, INC. (US) 1999-11-02 US disclosed
US-5922695-A COMPOUNDS CONTAINING CARBONATE OR CARBAMATE GROUPS GILEAD SCIENCES, INC. (US) 1999-07-13 US disclosed
EP-0915894-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1999-05-19 EP disclosed
WO-1998004569-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1998-02-05 WO disclosed