SCHEMBL3795262

SCHEMBL3795262

O=C(O)CC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KEAP1 Q14145 1/20 0.44
EPOR P19235 1/20 0.44
FOLH1 Q04609 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 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
SCHEMBL536546 0.85 CPA3 (0.53) CPA3ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL19384899 0.85 CPA3 (0.53) CPA3ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL536547 0.85 CPA3 (0.53) CPA3ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL6849355 0.84 FOLH1 (0.50) CPA3ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8765293 0.84 FOLH1 (0.50) CPA3ALDH1A1LMNAPOLBHSD17B10
SCHEMBL8765302 0.84 FOLH1 (0.50) CPA3ALDH1A1LMNAPOLBHSD17B10
Hydrochloric Acid SCHEMBL3025758 0.83 CPA3 (0.51) CPA3ALDH1A1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL3025760 0.83 CPA3 (0.51) CPA3ALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL3791586 0.83 EPOR (0.47) CPA3MEN1KMT2AALDH1A1LMNA
SCHEMBL19100080 0.83 MEN1 (0.49) CPA3MEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170054-A2 TARGETING CONJUGATES COMPRISING ACTIVE AGENTS ENCAPSULATED IN CYCLODEXTRIN-CONTAINING POLYMERS Capsutech Ltd. (IL) 2010-04-07 EP disclosed
WO-2009001364-A2 TARGETING CONJUGATES COMPRISING ACTIVE AGENTS ENCAPSULATED IN CYCLODEXTRIN-CONTAINING POLYMERS CAPSUTECH LTD (IL) 2008-12-31 WO disclosed