SCHEMBL27903170

SCHEMBL27903170

CC(=O)OCCCCNN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ ALOX15 P16050 1/20 0.43
▸ CHRM5 P08912 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 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
▸ CHRNB2 P17787 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRNA10 Q9GZZ6 1/20 0.40
▸ CHRNA9 Q9UGM1 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 2/20 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
SCHEMBL28769505 0.93 — —
SCHEMBL27697985 0.84 — —
SCHEMBL3626314 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15TSHRFAAHACHE
Hydrochloric Acid SCHEMBL27742074 0.82 — —
SCHEMBL68495 0.82 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL189930 0.81 ALDH1A1 (0.74) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL5953248 0.80 ALDH1A1 (0.54) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL10458461 0.80 ALOX15 (0.45) ALDH1A1ALOX15TSHRACHEEPHX1
SCHEMBL23471339 0.78 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL21568850 0.78 ALDH1A1 (0.52) ALDH1A1CHRM5CHRM1CHRM3PGR

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-101535256-B Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO 2013-05-22 — — CN disclosed
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