SCHEMBL8410472

SCHEMBL8410472

CCCCC(C(=O)OCC)=C(Nc1ccccc1SC)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.53
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL8413639 0.84 CETP (0.42) CETPALDH1A1LMNATSHRMEN1
SCHEMBL8413637 0.84 CETP (0.42) CETPALDH1A1LMNATSHRMEN1
SCHEMBL8410078 0.81 ALDH1A1 (0.47) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL8410081 0.81 ALDH1A1 (0.47) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL8410470 0.78 MEN1 (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL8501792 0.78 MEN1 (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL8493358 0.74 ALDH1A1 (0.65) ALDH1A1LMNATSHRNPSR1MAPT
SCHEMBL8413634 0.72 RAB9A (0.55) ALDH1A1LMNATSHRMAPTMEN1
SCHEMBL8413632 0.72 RAB9A (0.55) ALDH1A1LMNATSHRMAPTMEN1
SCHEMBL8410515 0.71 RAB9A (0.55) ALDH1A1LMNATSHRNPSR1MAPT

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-5985894-A USEFUL IN THE TREATMENT OF CARDIOVASCULAR ILLNESSES HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed