SCHEMBL20044974

SCHEMBL20044974

CCCCCCc1ccc2cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc5cc(CCCCCC)ccc5cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
TLR8 Q9NR97 6/20 0.37
BDKRB2 P30411 1/20 0.37
S1PR3 Q99500 1/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSPD1 P10809 1/20 0.35

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
SCHEMBL20044963 0.96 SIGMAR1 (0.37) S1PR1S1PR4S1PR5TLR8HTR2A
SCHEMBL20044964 0.89 S1PR1 (0.32) S1PR1S1PR4S1PR5TLR8BDKRB2
SCHEMBL1884100 0.83 S1PR4 (0.30) S1PR1S1PR4S1PR5HSD17B10
SCHEMBL20044975 0.82 TLR8 (0.33) S1PR1S1PR4S1PR5TLR8CYP3A4
SCHEMBL20044988 0.79 NPC1 (0.43)
SCHEMBL10058019 0.77 TLR8 (0.35) TLR8KDM4ECYP3A4HSD17B10
SCHEMBL3720679 0.74 PTGS2 (0.53) BDKRB2ESR1ADRA2AADORA3TACR2
SCHEMBL3721391 0.74 PTGS2 (0.53) BDKRB2ESR1ADRA2AADORA3TACR2
SCHEMBL21240657 0.74 PTGS2 (0.53) BDKRB2ESR1ADRA2AADORA3TACR2
SCHEMBL3724269 0.74 PTGS2 (0.53) BDKRB2ESR1ADRA2AADORA3TACR2

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-20180102222-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-04-12 US disclosed
US-20180102222-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-04-12 US disclosed