SCHEMBL14029192

SCHEMBL14029192

CC(=O)OCCCCP(=O)(O)CP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
BTN3A1 O00481 1/20 0.40
GLUL P15104 1/20 0.37
LMNA P02545 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRNB2 P17787 1/20 0.35
TBXA2R P21731 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14029190 0.86 BTN3A1 (0.43) ALDH1A1BTN3A1GLULLMNACHRM5
SCHEMBL17753880 0.84 ALDH1A1 (0.52) ALDH1A1LMNAAPOBEC3AAPOBEC3GCHRM5
SCHEMBL17754085 0.82 LPAR3 (0.50) ALDH1A1LMNAAPOBEC3AAPOBEC3GCHRM5
SCHEMBL4953298 0.82 LPAR3 (0.50) ALDH1A1LMNAAPOBEC3AAPOBEC3GCHRM5
SCHEMBL7903599 0.82 LPAR3 (0.50) ALDH1A1LMNAAPOBEC3AAPOBEC3GCHRM5
SCHEMBL17753846 0.78 ALDH1A1 (0.54) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL189930 0.74 ALDH1A1 (0.74) ALDH1A1LMNAAPOBEC3AAPOBEC3GCHRM5
SCHEMBL4893786 0.73 ALDH1A1 (0.46) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL17754084 0.72 LPAR3 (0.57) ALDH1A1LMNAAPOBEC3AAPOBEC3GCHRM5
SCHEMBL4441760 0.72 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GCHRM5

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
US-7432277-B2 Phosphorus-containing macrocycles ARAID GENE THERAPEUTICS, INC. (US) 2008-10-07 US disclosed