SCHEMBL28893883

SCHEMBL28893883

CCCCCCC(=Cc1ccc(C#N)cc1)C=C(C)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ FAAH O00519 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ FBP1 P09467 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 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
SCHEMBL20441170 1.00 TDP1 (0.41) TDP1PDCD1CD274MAPTALDH1A1
SCHEMBL28893979 1.00 TDP1 (0.41) TDP1PDCD1CD274MAPTALDH1A1
SCHEMBL20424323 0.87 TDP1 (0.52) TDP1ALDH1A1MGLLKDM4EKMT2A
SCHEMBL29963954 0.87 TDP1 (0.52) TDP1ALDH1A1MGLLKDM4EKMT2A
SCHEMBL20424322 0.87 TDP1 (0.52) TDP1ALDH1A1MGLLKDM4EKMT2A
SCHEMBL24352194 0.85 TDP1 (0.44) TDP1MAPTALDH1A1KDM4EMEN1
SCHEMBL28893989 0.85 LMNA (0.54) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL28893988 0.85 LMNA (0.54) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL20424884 0.85 TDP1 (0.59) TDP1MAPTALDH1A1KDM4EMEN1
SCHEMBL20424885 0.85 TDP1 (0.59) TDP1MAPTALDH1A1KDM4EMEN1

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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