SCHEMBL8666377

SCHEMBL8666377

CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ ACER2 Q5QJU3 1/20 0.63
▸ CERT1 Q9Y5P4 3/20 0.57
▸ UGCG Q16739 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.51
▸ SMPD2 O60906 2/20 0.50
▸ SMPD1 P17405 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MTOR P42345 1/20 0.49

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
SCHEMBL27357411 1.00 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL14960683 0.90 ASAH1 (0.61) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL6571640 0.83 CERT1 (0.65) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL15996628 0.83 LMNA (0.49) ASAH1ALDH1A1ACER2NPSR1MEN1
SCHEMBL31043494 0.81 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL31043495 0.81 ASAH1 (0.63) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL4786264 0.79 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL7139621 0.79 NAAA (0.55) ASAH1ALDH1A1ACER2CERT1MAPT
SCHEMBL14842114 0.79 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1UGCG
SCHEMBL13963519 0.79 ASAH1 (0.66) ASAH1ALDH1A1ACER2CERT1UGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625517-B1 Taxane having antitumor activity INDENA SPA (IT) 1998-12-16 — — EP claimed
WO-1994027984-A1 TAXANE HAVING ANTITUMOR ACTIVITY INDENA S.P.A. (IT) 1994-12-08 — — WO claimed
EP-0625517-A1 Taxane having antitumor activity INDENA S.p.A. (IT) 1994-11-23 — — EP claimed
EP-0625517-B1 Taxane having antitumor activity INDENA SPA (IT) 1998-12-16 — — EP disclosed
US-5407674-A Plant extracts INDENA S.P.A. (IT) 1995-04-18 — — US disclosed
WO-1994027984-A1 TAXANE HAVING ANTITUMOR ACTIVITY INDENA S.P.A. (IT) 1994-12-08 — — WO disclosed
EP-0625517-A1 Taxane having antitumor activity INDENA S.p.A. (IT) 1994-11-23 — — EP disclosed
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