SCHEMBL8600543

SCHEMBL8600543

NN1C=CN([C@@H]2O[C@H](CO)C(O)C2O)C(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 7/20 0.47
▸ SLC28A1 O00337 1/20 0.46
▸ SLC28A2 O43868 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ SLC28A3 Q9HAS3 1/20 0.46
▸ LMNA P02545 3/20 0.44
▸ MTOR P42345 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL8600538 1.00 CDA (0.47) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6424353 0.76 CDA (0.45) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6674416 0.75 CDA (0.47) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL20833069 0.75 CDA (0.47) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL6906558 0.75 LMNA (0.45) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL4214653 0.75 LMNA (0.49) LMNASMN1; SMN2DNMT1BLMPMP22
SCHEMBL3630509 0.75 LMNA (0.45) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL4214655 0.75 LMNA (0.49) LMNASMN1; SMN2DNMT1BLMPMP22
SCHEMBL23240639 0.74 CDA (0.67) CDASLC28A1SLC28A2SLC29A1SLC28A3
SCHEMBL3498860 0.74 CDA (0.67) CDASLC28A1SLC28A2SLC29A1SLC28A3

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
EP-0715613-B1 NEW DIPHENYLHEXENE PECHAN REINHARD (DE) 1998-01-28 — — EP disclosed
US-5650445-A Diphenylhexene composition for use in treating liver carcinoma and psoriasis PECHAN REINHARD (DE) 1997-07-22 — — US disclosed
US-5578742-A INHIBIT UNCONTROLLED CELL PROLIFERATION, TREATMENT OF PSORIASIS, AIDS, CANCER, ANTITUMOR METZLER MANFRED (DE) 1996-11-26 — — US disclosed
EP-0636115-B1 NOVEL BIS-PHENYL-HEXENES METZLER MANFRED (DE) 1996-08-14 — — EP disclosed
EP-0715613-A1 NEW DIPHENYLHEXENE PECHAN, Reinhard (DE) 1996-06-12 — — EP disclosed
WO-1995006020-A1 NEW DIPHENYLHEXENE PECHAN REINHARD (DE) 1995-03-02 — — WO disclosed
EP-0636115-A1 NOVEL BIS-PHENYL-HEXENES. METZLER MANFRED (DE) 1995-02-01 — — EP disclosed
WO-1993022262-A1 NOVEL BIS-PHENYL-HEXENES METZLER MANFRED (DE) 1993-11-11 — — WO disclosed
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