SCHEMBL9849455

SCHEMBL9849455

CCCCCCCCCOC1(C(C)=O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.38
CHRM4 P08173 11/20 0.38
CHRM5 P08912 11/20 0.38
CHRM1 P11229 11/20 0.38
CHRM3 P20309 11/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 1/20 0.36
NR5A1 Q13285 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4186206 0.92 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5828435 0.92 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9462289 0.92 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4184937 0.92 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11363524 0.92 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4182082 0.92 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL9842607 0.91 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27675590 0.90 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4083724 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10903896 0.89 CNR2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421438-A2 Ferroelectric liquid crystal device SHARP KABUSHIKI KAISHA (JP) 1991-04-10 EP disclosed
EP-0384432-A1 Liquid crystalline compound and use thereof DAISO CO., LTD. (JP) 1990-08-29 EP disclosed