SCHEMBL28848693

SCHEMBL28848693

CCCCC1CCCC(CCCC)(C(C)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CETP P11597 4/20 0.34
TLR4 O00206 1/20 0.33
MAPT P10636 1/20 0.33
ARG1 P05089 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL11472880 0.76 CETP (0.42) CETPTDP1
Urea SCHEMBL1836708 0.76 CYP1A2 (0.42) CYP1A2MAPTARG1TDP1POLB
SCHEMBL1109958 0.76 CYP1A2 (0.48) CYP1A2MAPTARG1TDP1
SCHEMBL17293310 0.75 CETP (0.48) CETPTDP1
SCHEMBL11168183 0.74 CETP (0.34) CETP
SCHEMBL1109959 0.74 CYP1A2 (0.47) CYP1A2MAPTTDP1
SCHEMBL11116735 0.74 CYP4F2 (0.45) CYP1A2
SCHEMBL983172 0.74 CYP1A2 (0.50) CYP1A2TDP1
SCHEMBL6060381 0.72 CETP (0.37) CETP
SCHEMBL28312982 0.72 CYP1A2 (0.52) CYP1A2MAPTARG1TDP1POLB

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-111164192-B Laundry products 联合利华知识产权控股有限公司 2022-08-26 CN disclosed