SCHEMBL18124273

SCHEMBL18124273

C=C(CCOC(=O)NOCCCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.39
EPHX1 P07099 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.34
ALOX15 P16050 1/20 0.33
HCAR2 Q8TDS4 1/20 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
SCHEMBL14577464 0.92 EPHX1 (0.40) ACHEEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL6576436 0.81 EPHX1 (0.53) ACHEEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL5165665 0.79 ACHE (0.66) ACHEEPHX1EPHX2
SCHEMBL15397844 0.76 ALDH1A1 (0.42) ACHEEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL19836849 0.76 TSHR (0.57) ACHEEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL1136659 0.76 SMN1; SMN2 (0.45) ACHEEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL28481312 0.76 EPHX1 (0.52) ACHEEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL6688610 0.75 ACHE (0.60) ACHEEPHX1EPHX2
SCHEMBL6250293 0.75 CHRNB2 (0.45) ACHEEPHX1SMN1; SMN2ALDH1A1
SCHEMBL125750 0.74 TSHR (0.45) ALDH1A1TSHRHPGDHCAR2

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
EP-2549564-B1 SEPARATOR AND ELECTROCHEMICAL DEVICE HAVING SAME LG CHEMICAL LTD (KR) 2016-10-12 EP claimed