SCHEMBL28893989

SCHEMBL28893989

CCCCCCC(=Cc1ccc(F)cc1)/C=C(\C)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ TRPA1 O75762 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ S1PR4 O95977 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ FAAH O00519 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL28893988 1.00 LMNA (0.54) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL24352194 0.88 TDP1 (0.44) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL28893815 0.88 TDP1 (0.59) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL20424884 0.88 TDP1 (0.59) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL20424885 0.88 TDP1 (0.59) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL24352321 0.86 LMNA (0.58) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL24611339 0.86 TDP1 (0.42) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL28893979 0.85 TDP1 (0.41) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL20441170 0.85 TDP1 (0.41) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL28893883 0.85 TDP1 (0.41) LMNAMAPTMEN1KMT2ANPSR1

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
CN-115710181-A Compounds for reducing perception of malodour and uses thereof 凯姆克姆公司 2023-02-24 — — CN disclosed
CN-110494413-B Compounds for reducing perception of malodour and uses thereof 凯姆克姆公司 2022-11-22 — — CN disclosed
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