SCHEMBL7463099

SCHEMBL7463099

COC(=O)CCc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.50
CYP4F2 P78329 4/20 0.50
HDAC6 Q9UBN7 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
EPHX2 P34913 1/20 0.43
ADRB2 P07550 1/20 0.42

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
SCHEMBL7466474 0.86 LMNA (0.60) HDAC6GMNNALDH1A1LMNACYP2D6
SCHEMBL8573535 0.85 CYP4A11 (0.47) CYP4A11CYP4F2EPHX2ADRB2ADRB1
SCHEMBL8575084 0.85 CYP4A11 (0.47) CYP4A11CYP4F2EPHX2ADRB2ADRB1
SCHEMBL7472261 0.84 CYP4F2 (0.62) CYP4A11CYP4F2ALDH1A1LMNAMAPT
SCHEMBL3679325 0.81 CYP4A11 (0.72) CYP4A11CYP4F2ALDH1A1LMNAMAPT
SCHEMBL22922181 0.81 CYP4F2 (0.59) CYP4A11CYP4F2ALDH1A1LMNAMAPT
SCHEMBL14733281 0.80 CYP4F2 (0.49) CYP4A11CYP4F2ALDH1A1LMNAMAPT
SCHEMBL8142192 0.80 ALDH1A1 (0.50) CYP4A11CYP4F2HDAC6ALDH1A1MAPT
SCHEMBL11750668 0.79 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3679362 0.78 CYP4A11 (0.64) CYP4A11CYP4F2TSHREPHX2ADRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed