SCHEMBL30103368

SCHEMBL30103368

COCCOCCOCCOCCNCCCOCCNCCOCCOCCOCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 14/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL23705000 0.87 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3804288 0.84 ALDH1A1 (0.43) ALDH1A1EPHX2CYP2C19TSHR
SCHEMBL18467822 0.84 ALDH1A1 (0.43) ALDH1A1EPHX2CYP2C19TSHR
SCHEMBL27386798 0.84 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL7268276 0.84 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL3542040 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1EPHX2CYP2C19TSHR
SCHEMBL1654271 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1EPHX2CYP2C19TSHR
SCHEMBL21876707 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1EPHX2CYP2C19TSHR
SCHEMBL21877046 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1EPHX2CYP2C19TSHR
SCHEMBL102373 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1EPHX2CYP2C19TSHR

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-4097138-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS Avila Therapeutics, Inc. (US) 2022-12-07 EP disclosed