SCHEMBL8564505

SCHEMBL8564505

CC(=O)OC(CCNC=O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.38
ADH1A P07327 4/20 0.38
ADH7 P40394 3/20 0.38
ADH1C P00326 3/20 0.35
TSHR P16473 2/20 0.34
EPHX1 P07099 1/20 0.34
ADH4 P08319 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11543731 0.77 TSHR (0.39) TSHRTRPV1TDP1CHRM2CHRM4
SCHEMBL10782810 0.75 TSHR (0.50) TSHRTRPV1TDP1CHRM2CHRM4
SCHEMBL8726324 0.74 ADH1B (0.44) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL27449129 0.73 HIF1A (0.36) TSHRTRPV1TDP1CHRM2CHRM4
SCHEMBL16305427 0.72 ADH1B (0.42) ADH1BADH1AADH1CTSHRTRPV1
SCHEMBL16305419 0.72 ADH1B (0.38) ADH1BADH1AADH7ADH1CTSHR
SCHEMBL2230506 0.71 TSHR (0.46) TSHRTRPV1TDP1CHRM2CHRM4
SCHEMBL8289079 0.69 ADH1B (0.43) ADH1BADH1AADH7ADH1CTSHR
SCHEMBL16381892 0.69 ADH1B (0.35) ADH1BADH1AADH7ADH1C
SCHEMBL16305403 0.69 ADH1B (0.35) ADH1BADH1AADH7ADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed