SCHEMBL11099181

SCHEMBL11099181

COC(=O)C1=C(C)CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 6/20 0.52
HPGD P15428 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
SMN1; SMN2 Q16637 5/20 0.44
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR4 P22455 2/20 0.43
FGFR3 P22607 2/20 0.43
SRC P12931 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
CES1 P23141 1/20 0.41
MAPT P10636 6/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
NOTUM Q6P988 1/20 0.40
GAA P10253 3/20 0.39
TP53 P04637 1/20 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
SCHEMBL8028626 0.85 FGFR1 (0.44) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL6654078 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL6526952 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL21940769 0.79 CES1 (0.44) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL10932406 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL5395844 0.75 CA1 (0.49) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL28381998 0.74 NPC1 (0.43) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL28800092 0.73 FGFR1 (0.46) ALDH1A1HPGDFGFR1FGFR2FGFR4
SCHEMBL27617877 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL10041964 0.70 NPC1 (0.56) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2

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
EP-0125410-A2 Imidazolines and related compounds and preparation thereof STERLING DRUG INC. (US) 1984-11-21 EP disclosed