SCHEMBL9123641

SCHEMBL9123641

CC(C)CC(=O)c1ccc(OCC(O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
POLB P06746 5/20 0.48
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.39

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
SCHEMBL9690639 0.90 LMNA (0.48) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL9123644 0.86 LMNA (0.49) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL9241996 0.80 RAB9A (0.39) LMNAPOLBMEN1KMT2AGAA
SCHEMBL9122575 0.80 PTGES (0.55) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL9690647 0.79 LMNA (0.48) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL9124626 0.76 RAB9A (0.63) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL10447756 0.73 HSD17B10 (0.62) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL9125191 0.73 MAPT (0.47) LMNAPOLBKMT2AGAATSHR
SCHEMBL9123290 0.72 SMN1; SMN2 (0.53) LMNAPOLBMEN1KMT2AKDM4E
SCHEMBL9124267 0.72 MAPT (0.50) LMNAALDH1A1MEN1KMT2AL3MBTL1

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-5470858-A Anticholesterol agents PIERREL SPA (IT) 1995-11-28 US disclosed