SCHEMBL8676255

SCHEMBL8676255

CNC(=O)Oc1ccc(C2OCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.43
BCHE P06276 6/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL11089269 0.82 ACHE (0.46) ACHEBCHESMN1; SMN2ALDH1A1NPC1
SCHEMBL11097182 0.81 LMNA (0.50) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL16166141 0.81 MMP2 (0.39) ACHEBCHEMMP2MMP9MMP14
SCHEMBL12893245 0.78 ALDH1A1 (0.51) ACHEBCHEMMP2MMP9MMP14
SCHEMBL9063871 0.76 KMT2A (0.52) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL6733945 0.72 ACHE (0.49) ACHEBCHEALDH1A1LMNA
SCHEMBL119641 0.72 ACHE (0.49) ACHEBCHEALDH1A1LMNA
SCHEMBL29435143 0.72 ACHE (0.49) ACHEBCHEALDH1A1LMNA
SCHEMBL2360322 0.71 NPC1 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4723773 0.71 MAOA (0.48) ACHESMN1; SMN2NPC1RAB9ALMNA

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-5846997-A Liquid formulations BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed