SCHEMBL10716866

SCHEMBL10716866

CCOC(=O)CCCCCCCCCCCCCCC[N+](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ ADRA2A P08913 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ BLM P54132 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ DGKA P23743 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ PAM P19021 2/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ ACHE P22303 2/20 0.44

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
Bromide SCHEMBL10716902 0.98 CYP1A2 (0.52) CYP1A2ADRA2AADRA1AMAPTBLM
SCHEMBL13396799 0.92 CYP1A2 (0.57) CYP1A2ADRA2AADRA1AMAPTBLM
SCHEMBL8444876 0.91 CYP1A2 (0.48) CYP1A2ADRA2AADRA1AMAPTBLM
SCHEMBL9630534 0.90 ADRA2A (0.67) CYP1A2ADRA2AADRA1AMAPTBLM
Hydrochloric Acid SCHEMBL31375742 0.90 MAPT (0.57) CYP1A2ADRA2AADRA1AMAPTBLM
Diethyl Octadecanedioate SCHEMBL496152 0.85 CYP1A2 (0.70) CYP1A2MAPTTSHRHSD17B10ALDH1A1
SCHEMBL494584 0.85 CYP1A2 (0.70) CYP1A2MAPTTSHRHSD17B10ALDH1A1
SCHEMBL494100 0.85 CYP1A2 (0.70) CYP1A2MAPTTSHRHSD17B10ALDH1A1
SCHEMBL19066941 0.85 CYP1A2 (0.70) CYP1A2MAPTTSHRHSD17B10ALDH1A1
SCHEMBL494356 0.85 CYP1A2 (0.70) CYP1A2MAPTTSHRHSD17B10ALDH1A1

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-0216378-A2 Haemostatic material and its preparation Státni vyzkumny ustav textilni (CS) 1987-04-01 — — EP claimed
Send feedback