SCHEMBL4364379

SCHEMBL4364379

Cc1ncc(C[n+]2c(C(O)CCC(=O)O)sc(CCO[PH](=O)OP(=O)(O)OO)c2C)c(N)n1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPP5C P53041 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TKT P29401 7/20 0.39
▸ HSP90AA1 P07900 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL4364375 0.84 PPP5C (0.82) PPP5CTDP1LMNATKTHSP90AA1
SCHEMBL31477791 0.74 PPP5C (0.70) PPP5CTDP1LMNATKTHSP90AA1
SCHEMBL2512165 0.72 PPP5C (0.68) PPP5CTDP1LMNATKTHSP90AA1
Hydrochloric Acid SCHEMBL1533810 0.71 PPP5C (0.67) PPP5CTDP1LMNATKTHSP90AA1
Hydrochloric Acid SCHEMBL3908684 0.69 PPP5C (0.64) PPP5CTDP1LMNATKTHSP90AA1
Hydrochloric Acid SCHEMBL5709836 0.69 TDP1 (0.60) PPP5CTDP1LMNATKTHSP90AA1
SCHEMBL13741845 0.68 TKT (0.71) PPP5CTDP1TKTHSP90AA1
Hydrochloric Acid SCHEMBL4355811 0.67 TKT (0.70) PPP5CTDP1TKTHSP90AA1
SCHEMBL30249786 0.66 LMNA (0.66) PPP5CTDP1LMNATKTHSP90AA1
Pyrophosphoric Acid SCHEMBL2464363 0.66 TKT (0.54) PPP5CTDP1LMNATKTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 — — US disclosed
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