SCHEMBL28655932

SCHEMBL28655932

CC=CC(CCC(C)CCC)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALOX15 P16050 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7006751 0.88 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7006753 0.88 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL29275508 0.81 GALR3 (0.37) GALR3
SCHEMBL11516139 0.79 GALR3 (0.41) GALR3MAPT
SCHEMBL11516146 0.79 GALR3 (0.41) GALR3MAPT
SCHEMBL4258148 0.76 TSHR (0.37) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL4258145 0.76 TSHR (0.37) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL31534046 0.76 TSHR (0.37) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL1301856 0.74 TSHR (0.41) TSHRALOX15ACE2CHRM2CHRM4
SCHEMBL11549781 0.73 TSHR (0.39) TSHRALOX15CHRM2CHRM4CHRM1

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-113710785-A Compound and detergent composition 联合利华知识产权控股有限公司 2021-11-26 CN disclosed