SCHEMBL11217801

SCHEMBL11217801

CC(=O)c1cc(C)ccc1OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.46
VDR P11473 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SRC P12931 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL4221973 0.86 MAPT (0.47) ALDH1A1GLAVDRLMNAMAPT
SCHEMBL11224784 0.84 PTGDR2 (0.59) ALDH1A1GLAVDRMAPTSMN1; SMN2
SCHEMBL567908 0.84 ALDH1A1 (0.49) ABCB1ALDH1A1GLAKMT2AVDR
SCHEMBL568467 0.84 ALDH1A1 (0.49) ABCB1ALDH1A1GLAKMT2AVDR
SCHEMBL1043148 0.83 PKM (0.49) ABCB1ALDH1A1GLAKMT2ALMNA
SCHEMBL11101150 0.83 DRD4 (0.41) ALDH1A1GLAKMT2AVDRSMN1; SMN2
SCHEMBL10527858 0.83 MCHR1 (0.44) ALDH1A1GLAKMT2AVDRLMNA
SCHEMBL7968230 0.83 ABCB1 (0.51) ABCB1ALDH1A1GLASRCTGFBR1
SCHEMBL7968232 0.83 ABCB1 (0.51) ABCB1ALDH1A1GLASRCTGFBR1
SCHEMBL7968234 0.83 ABCB1 (0.51) ABCB1ALDH1A1GLASRCTGFBR1

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-0005610-B1 1-(HETEROCYCLYLALKYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONES, THEIR PREPARATION, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS BETA-ADRENERGIC RECEPTOR BLOCKERS JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-15 EP disclosed
US-4181802-A ADRENERGIC BLOCKING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-01 US disclosed
EP-0005610-A2 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-28 EP disclosed