SCHEMBL31297301

SCHEMBL31297301

CC(=O)OCCCCCCCCCCCCCCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
RAD52 P43351 1/20 0.50
TSHR P16473 2/20 0.48
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRNA4 P43681 2/20 0.43
LMNA P02545 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
DNM1 Q05193 4/20 0.43
GAA P10253 1/20 0.42
NAAA Q02083 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PAOX Q6QHF9 1/20 0.40
PGR P06401 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
SCHEMBL31440212 1.00 ALDH1A1 (0.52) ALDH1A1RAD52TSHRCHRM2CHRM4
SCHEMBL31440335 1.00 ALDH1A1 (0.52) ALDH1A1RAD52TSHRCHRM2CHRM4
SCHEMBL31440233 1.00 ALDH1A1 (0.52) ALDH1A1RAD52TSHRCHRM2CHRM4
SCHEMBL8756090 1.00 ALDH1A1 (0.52) ALDH1A1RAD52TSHRCHRM2CHRM4
SCHEMBL34462071 1.00 ALDH1A1 (0.52) ALDH1A1RAD52TSHRCHRM2CHRM4
SCHEMBL31440349 1.00 ALDH1A1 (0.52) ALDH1A1RAD52TSHRCHRM2CHRM4
SCHEMBL31440319 1.00 ALDH1A1 (0.52) ALDH1A1RAD52TSHRCHRM2CHRM4
SCHEMBL761115 0.98 ALDH1A1 (0.54) ALDH1A1RAD52TSHRCHRM2CHRM4
SCHEMBL26314 0.91 ALDH1A1 (0.56) ALDH1A1RAD52TSHRCHRM2CHRM4
Water SCHEMBL28087308 0.89 ALDH1A1 (0.54) ALDH1A1RAD52TSHRCHRM2CHRM4

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
CN-119139479-A Compositions comprising taxane nanoparticles and uses thereof DFB索里亚有限责任公司 2024-12-17 CN disclosed