SCHEMBL20175354

SCHEMBL20175354

CC(C)COc1ccc(CCCCN2C(=O)C3=C(c4cccs4)N(CCCCc4ccc(OCC(C)C)cc4)C(=O)C3=C2c2cccs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
ABCB1 P08183 2/20 0.35
ACACB O00763 2/20 0.34
FFAR1 O14842 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
TRIM24 O15164 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
SCHEMBL20175873 0.87 S1PR1 (0.39) PSMB5LMNA
SCHEMBL20173389 0.86 S1PR1 (0.40) PSMB5HRH3LMNA
SCHEMBL20173396 0.86 S1PR1 (0.40) PSMB5HRH3LMNA
SCHEMBL20288288 0.76 ALDH1A1 (0.34) MMP1MMP2MAPTTDP1L3MBTL1
SCHEMBL20279787 0.76 S1PR1 (0.33) THRB
SCHEMBL15969661 0.74 ALDH1A1 (0.43) TP53
SCHEMBL20774909 0.73 ALDH1A1 (0.45) TP53
SCHEMBL14723025 0.73 ALDH1A1 (0.45) TP53
SCHEMBL14816400 0.73 ALDH1A1 (0.45) TP53
SCHEMBL14897890 0.73 ALDH1A1 (0.45) TP53

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
US-10636975-B2 Organic semiconductor element, compound, organic semiconductor composition, and method of manufacturing organic semiconductor film FUJIFILM CORPORATION (JP) 2020-04-28 US disclosed
US-20180145259-A1 ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-05-24 US disclosed