SCHEMBL8236141

SCHEMBL8236141

CCOC(=O)CN[C@H](C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
F2 P00734 1/20 0.45
PPID Q08752 1/20 0.44
MAPT P10636 2/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSS P25774 3/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL32677628 0.80 CYP3A4 (0.53) L3MBTL1TSHRALDH1A1CYP3A4CYP2C9
SCHEMBL7216573 0.80 F2 (0.43) L3MBTL1TSHRALDH1A1TP53F2
Hydrochloric Acid SCHEMBL7218526 0.79 F2 (0.43) L3MBTL1TSHRALDH1A1TP53F2
SCHEMBL22697116 0.78 CYP3A4 (0.51) L3MBTL1TSHRALDH1A1CYP3A4CYP2C9
SCHEMBL28662756 0.78 HTR1E (0.47) L3MBTL1TSHRALDH1A1TP53CYP3A4
SCHEMBL7222101 0.78 F2 (0.59) L3MBTL1TSHRTP53F2MAPT
SCHEMBL1912567 0.77 PPID (0.52) L3MBTL1ALDH1A1PPIDMAPT
SCHEMBL8228187 0.76 L3MBTL1 (0.52) L3MBTL1TSHRALDH1A1TP53CYP3A4
SCHEMBL8874259 0.76 CYP3A4 (0.57) L3MBTL1TSHRALDH1A1CYP3A4CYP2C9
SCHEMBL21959514 0.75 PPID (0.50) L3MBTL1ALDH1A1PPIDCTSS

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-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed