SCHEMBL21575889

SCHEMBL21575889

CNC(=O)CCNCCOC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
TSHR P16473 1/20 0.36
GALR3 O60755 2/20 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
SCHEMBL68618 0.83 ALDH1A1 (0.50) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL27409137 0.81 ALDH1A1 (0.44) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL5097428 0.81 ALDH1A1 (0.48) ALDH1A1LMNACHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1062025 0.81 ALDH1A1 (0.48) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL22622460 0.81 LMNA (0.52) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL3538086 0.80 TSHR (0.42) ALDH1A1LMNASMN1; SMN2TSHRGAA
SCHEMBL4381203 0.80 ALDH1A1 (0.40) ALDH1A1LMNACHRM5CHRM1CHRM3
Acetic Acid SCHEMBL8586630 0.79 ALDH1A1 (0.46) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL12847460 0.79 LMNA (0.50) ALDH1A1LMNAPOLB
SCHEMBL12791478 0.79 LMNA (0.50) ALDH1A1LMNAPOLB

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-20190352533-A1 WATER-REPELLENT COATING COMPOSITION AND WATER-REPELLENT COATING SUBSTRATE COATED THEREWITH DONGJIN SEMICHEM CO., LTD. (KR) 2019-11-21 US disclosed