SCHEMBL8317665

SCHEMBL8317665

COc1ccc(COS(C)(=O)=O)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 2/20 0.45
AOC3 Q16853 1/20 0.45
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL1229784 0.85 CA12 (0.52) KDM4ESMN1; SMN2POLBTSHRALDH1A1
SCHEMBL4768984 0.81 AOC3 (0.48) KDM4ESMN1; SMN2POLBAOC3CYP1A2
SCHEMBL6212313 0.77 AOC3 (0.53) KDM4ESMN1; SMN2POLBAOC3CYP1A2
SCHEMBL23931092 0.77 AOC3 (0.53) KDM4ESMN1; SMN2POLBAOC3CYP1A2
SCHEMBL31347393 0.77 MEP1B (0.36) ALDH1A1
SCHEMBL31287942 0.77 MEP1B (0.36) ALDH1A1
SCHEMBL30883 0.75 AOC3 (0.55) KDM4ESMN1; SMN2POLBAOC3CYP1A2
SCHEMBL2207149 0.75 IDO1 (0.56) KDM4ESMN1; SMN2POLBCHRM2TSHR
SCHEMBL6258308 0.75 IDO1 (0.60) AOC3ALDH1A1GAAL3MBTL1TAAR1
SCHEMBL8688214 0.75 APLNR (0.53) ALDH1A1MAPTGAAKMT2AMEN1

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-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed