SCHEMBL28149239

SCHEMBL28149239

CCCC(C)(O)C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGFR P00533 2/20 0.42
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL7101868 0.89 CYP2C19 (0.45) CYP2C19NPC1L3MBTL1EGFRGLA
SCHEMBL7101867 0.89 CYP2C19 (0.45) CYP2C19NPC1L3MBTL1EGFRGLA
SCHEMBL28096624 0.88 EGFR (0.47) CYP2C19NPC1L3MBTL1EGFRGLA
SCHEMBL19130587 0.85 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1EGFRGLA
SCHEMBL7127915 0.85 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1EGFRGLA
SCHEMBL7127921 0.85 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1EGFRGLA
Alcohol SCHEMBL10990969 0.84 EGFR (0.47) CYP2C19NPC1L3MBTL1EGFRTDP1
SCHEMBL16552541 0.81 CYP2C19 (0.50) CYP2C19NPC1L3MBTL1EGFRGLA
SCHEMBL11093287 0.81 CYP2C19 (0.46) CYP2C19NPC1L3MBTL1EGFRGLA
SCHEMBL2866773 0.79 CYP2C19 (0.49) CYP2C19NPC1L3MBTL1EGFRGLA

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-104035296-B Toner and the image forming method, image processing system and cartridge processing with it 株式会社理光 2017-08-25 CN disclosed
CN-104024952-B Magnetic toner 佳能株式会社 2017-05-24 CN disclosed