SCHEMBL21634178

SCHEMBL21634178

CCCCCCCCCCCCCC(=O)NC(O)(CC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SOAT1 P35610 3/20 0.51
SOAT2 O75908 1/20 0.51
ASAH1 Q13510 2/20 0.48
ALDH1A1 P00352 2/20 0.47
ACER2 Q5QJU3 1/20 0.47
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
FAAH O00519 1/20 0.46
P2RX7 Q99572 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CETP P11597 1/20 0.46

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
SCHEMBL27920436 0.82 EPHX2 (0.55) EPHX2MEN1KMT2ASOAT1SOAT2
Hydrochloric Acid SCHEMBL29058723 0.81 EPHX2 (0.54) EPHX2MEN1KMT2ASOAT1SOAT2
SCHEMBL6504276 0.78 MEN1 (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4827097 0.78 MEN1 (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14401408 0.76 ALDH1A1 (0.53) EPHX2MEN1KMT2AALDH1A1CETP
SCHEMBL28685723 0.76 NAPRT (0.44) KMT2AALDH1A1HDAC8HDAC3HDAC6
SCHEMBL29393902 0.76 NAPRT (0.44) KMT2AALDH1A1HDAC8HDAC3HDAC6
SCHEMBL27442957 0.75 SOAT2 (0.64) EPHX2MEN1KMT2ASOAT1SOAT2
SCHEMBL282938 0.74 SOAT2 (0.82) SOAT1SOAT2ALDH1A1HDAC8HDAC3
SCHEMBL8743085 0.74 SOAT2 (0.82) SOAT1SOAT2ALDH1A1HDAC8HDAC3

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
WO-2020023390-A1 MRNA BASED ENZYME REPLACEMENT THERAPY COMBINED WITH A PHARMACOLOGICAL CHAPERONE FOR THE TREATMENT OF LYSOSOMAL STORAGE DISORDERS MODERNATX, INC. (US) 2020-01-30 WO disclosed