SCHEMBL8328989

SCHEMBL8328989

CCOC(=O)C1(CC(=O)O)CCn2c(cc3c(CC)cccc32)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8327590 0.77 OPRM1 (0.35) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8328986 0.76 HTR2A (0.42) L3MBTL1ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL8323562 0.71 OPRM1 (0.35) L3MBTL1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL3156042 0.67 HTR2A (0.46) SMN1; SMN2
SCHEMBL8325800 0.66 ALDH1A1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8330362 0.65 HTR2A (0.38) ALDH1A1MEN1KMT2AGAA
SCHEMBL6581875 0.62 CYP2C19 (0.53) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7487765 0.62 CYP2C19 (0.48) SMN1; SMN2MEN1KMT2AMAPTPKM
SCHEMBL6188793 0.61 USP2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL28636627 0.60 CYP2C19 (0.57) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 EP disclosed