SCHEMBL11160643

SCHEMBL11160643

CCOC(=O)COc1ccc(Sc2ccc(O)c(NC(=O)CCl)c2C)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 1/20 0.41
NLRP3 Q96P20 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 4/20 0.36
GAA P10253 1/20 0.36
ADRB3 P13945 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
MAOB P27338 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL11152318 0.87 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11159558 0.75 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11134415 0.74 ALDH1A1 (0.40) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11150319 0.73 ESR1 (0.43) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11150309 0.71 MEN1 (0.46) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11151797 0.70 LMNA (0.40) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11154785 0.70 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11152376 0.69 NPSR1 (0.44) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL11142504 0.68 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL4625388 0.67 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2ANPSR1

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-4389416-A DIURETICS ABBOTT LABORATORIES (US) 1983-06-21 US disclosed