SCHEMBL20044968

SCHEMBL20044968

CCCCCCOc1ccc2cc3c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc5cc(OCCCCCC)ccc5cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
HTR1B P28222 3/20 0.39
NR5A1 Q13285 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
MTNR1A P48039 1/20 0.36
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL20044988 0.96 NPC1 (0.43) THRAHTR1BTSHRNPC1RAB9A
SCHEMBL19462709 0.78 THRB (0.40) THRANR5A1TSHR
SCHEMBL20044969 0.76 HDAC1 (0.33)
SCHEMBL12278358 0.76 NR5A1 (0.49) THRAHTR1BNR5A1TSHRMTNR1A
SCHEMBL8724311 0.75 NR5A1 (0.55) THRAHTR1BNR5A1TSHRMTNR1A
SCHEMBL17162145 0.75 NR5A1 (0.58) THRANR5A1TSHRNPC1RAB9A
SCHEMBL30426140 0.75 NR5A1 (0.58) THRANR5A1TSHRCA12CA1
SCHEMBL17018215 0.75 NR5A1 (0.58) THRANR5A1TSHRNPC1RAB9A
SCHEMBL347683 0.75 NR5A1 (0.62) THRANR5A1TSHRCA12CA1
SCHEMBL10642885 0.75 NR5A1 (0.62) THRANR5A1TSHRCA12CA1

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