SCHEMBL8413637

SCHEMBL8413637

CCCC/C(C(=O)OCC)=C(/Nc1ccccc1Br)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
GPR35 Q9HC97 1/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.39
DHODH Q02127 1/20 0.39
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 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
SCHEMBL8413639 1.00 CETP (0.42) CETPL3MBTL1GPR35GAAALDH1A1
SCHEMBL8410472 0.84 CETP (0.53) CETPL3MBTL1GAAALDH1A1POLB
SCHEMBL8410078 0.82 ALDH1A1 (0.47) GAAALDH1A1KMT2AMEN1TDP1
SCHEMBL8410081 0.82 ALDH1A1 (0.47) GAAALDH1A1KMT2AMEN1TDP1
SCHEMBL8328906 0.79 KMT2A (0.44) CETPL3MBTL1GAAALDH1A1POLB
SCHEMBL28372195 0.77 GPR35 (0.65) L3MBTL1GPR35GAAALDH1A1KMT2A
SCHEMBL1188292 0.73 ALDH1A1 (0.62) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL8413634 0.72 RAB9A (0.55) L3MBTL1GAAALDH1A1KMT2AMEN1
SCHEMBL8413632 0.72 RAB9A (0.55) L3MBTL1GAAALDH1A1KMT2AMEN1
SCHEMBL21059262 0.72 SMN1; SMN2 (0.66) L3MBTL1ALDH1A1TDP1TSHRLMNA

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