SCHEMBL11050265

SCHEMBL11050265

CC(=O)OC/C(I)=C(/Br)I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11050268 1.00 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL8439630 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL8501977 0.77 NAAA (0.38) ALDH1A1GAA
SCHEMBL11055125 0.77 NPC1 (0.33) ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL11056307 0.77 NAAA (0.38) ALDH1A1GAA
SCHEMBL11055127 0.77 NPC1 (0.33) ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3051739 0.76 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10GAA
SCHEMBL11056222 0.76
SCHEMBL11056237 0.76
SCHEMBL4345325 0.76 ALDH1A1 (0.54) ALDH1A1LMNAHSD17B10GAA

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
US-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 US claimed
JP-57116002-A None JP disclosed
US-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 US disclosed
JP-S57116002-A VERMIN REPELLENT SANKYO CO LTD 1982-07-19 JP disclosed