SCHEMBL8527692

SCHEMBL8527692

Cc1cccc(OC(O)CCO)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ACHE P22303 1/20 0.46
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ENPP3 O14638 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL28029701 0.86 ENPP3 (0.48) LMNAACHEADRB2ADRB1SMN1; SMN2
SCHEMBL8527691 0.83 ACHE (0.43) LMNAACHEADRB2ADRB1SMN1; SMN2
SCHEMBL223920 0.83 LMNA (0.47) LMNAACHEADRB2ADRB1SMN1; SMN2
SCHEMBL515981 0.82 LMNA (0.50) LMNAACHEADRB2ADRB1SMN1; SMN2
SCHEMBL10358918 0.81 LMNA (0.49) LMNAACHEADRB2ADRB1SMN1; SMN2
SCHEMBL27696526 0.80 LMNA (0.41) LMNAACHEADRB2ADRB1SMN1; SMN2
SCHEMBL9589592 0.79 SOD1 (0.40) LMNAACHEL3MBTL1POLBTSHR
SCHEMBL13969644 0.78 ACHE (0.38) LMNAACHEKMT2AL3MBTL1MEN1
SCHEMBL2569853 0.77 ALDH1A1 (0.45) LMNASMN1; SMN2GAATDP1ALDH1A1
SCHEMBL8063816 0.77 LMNA (0.52) LMNAACHEADRB2ADRB1SMN1; SMN2

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-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed