SCHEMBL20044988

SCHEMBL20044988

CCCCCCOc1ccc2cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc5ccccc5cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MTNR1A P48039 2/20 0.39
TSHR P16473 1/20 0.39
LTA4H P09960 1/20 0.38
THRA P10827 1/20 0.38
PTPN11 Q06124 1/20 0.37
HTR1B P28222 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
HDAC1 Q13547 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
SCHEMBL20044968 0.96 THRA (0.40) NPC1RAB9AGPBAR1CYSLTR2CYSLTR1
SCHEMBL1270205 0.78 CACNA2D1 (0.35)
SCHEMBL20044956 0.78 CACNA2D1 (0.35)
SCHEMBL20044996 0.78 HDAC1 (0.38) HDAC1
SCHEMBL18267813 0.77 CACNA2D1 (0.36) NPC1RAB9A
SCHEMBL1311817 0.77 LTA4H (0.56) NPC1RAB9AGPBAR1CYSLTR2CYSLTR1
SCHEMBL2161848 0.76 ESR1 (0.35) TSHR
SCHEMBL651091 0.76 CACNA2D1 (0.33)
SCHEMBL14514097 0.76 CACNA2D1 (0.35)
SCHEMBL758205 0.75 KDM4E (0.61) NPC1RAB9AGPBAR1CYSLTR2CYSLTR1

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