SCHEMBL8811545

SCHEMBL8811545

CC(=O)OCCCCCCCCCCCCCCCCCC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 5/20 0.44
LMNA P02545 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CYP3A4 P08684 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 2/20 0.41
RECQL P46063 1/20 0.41
FAAH O00519 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
HPGD P15428 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL8814291 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL1300597 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL2125096 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL1302164 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL8813032 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL52421 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL2124125 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL630948 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL11581868 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G
SCHEMBL1798571 1.00 ALDH1A1 (0.52) ALDH1A1TSHRLMNAAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105357963-A Use of an isopropanol-containing solution to combat calciviridae AIR LIQUIDE 2016-02-24 CN disclosed
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed