SCHEMBL2641029

SCHEMBL2641029

CCC(O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.52
NAALAD2 Q9Y3Q0 3/20 0.52
RIMKLA Q8IXN7 1/20 0.52
GGH Q92820 1/20 0.49
TET2 Q6N021 3/20 0.43
KDM4A O75164 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
TET3 O43151 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5158281 0.85 KMT2A (0.42) FOLH1NAALAD2RIMKLAGGH
SCHEMBL3364509 0.85 KMT2A (0.42) FOLH1NAALAD2RIMKLAGGH
SCHEMBL20988072 0.82 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGHTET2
SCHEMBL8140501 0.81 FFAR1 (0.53)
SCHEMBL10708556 0.81 FFAR1 (0.53)
SCHEMBL2447755 0.81 FOLH1 (0.67) FOLH1NAALAD2RIMKLAGGHTET2
SCHEMBL27341927 0.81 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGGHCYP1A2
SCHEMBL4655466 0.80 FOLH1 (0.55) FOLH1NAALAD2RIMKLAGGHTET2
SCHEMBL7536779 0.80 FFAR1 (0.51)
SCHEMBL27785333 0.79 FOLH1 (0.50) FOLH1NAALAD2RIMKLAGGHTET2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08501286-A 1996-02-13 JP claimed
EP-0649302-A1 THERAPEUTIC AND DIAGNOSTIC USE OF MODIFIED POLYMERIC MICROCAPSULES WALLACE, Sidney (US) 1995-04-26 EP claimed
WO-1994002106-A1 THERAPEUTIC AND DIAGNOSTIC USE OF MODIFIED POLYMERIC MICROCAPSULES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-02-03 WO claimed