SCHEMBL20044977

SCHEMBL20044977

Cc1csc(-c2ccc3cc4c(C#C[Si](C(C)C)(C(C)C)C(C)C)c5cc6ccccc6cc5c(C#C[Si](C(C)C)(C(C)C)C(C)C)c4cc3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.34
CHEK1 O14757 1/20 0.34
BACE1 P56817 1/20 0.32
AR P10275 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2161848 0.84 ESR1 (0.35) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL19464523 0.83 CYP11B1 (0.34) ALDH1A1SMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL20044995 0.80 ESR1 (0.38) BACE1ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL20044956 0.78 CACNA2D1 (0.35) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL1270205 0.78 CACNA2D1 (0.35) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL29360481 0.78 CACNA2D1 (0.37) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL336442 0.78 CACNA2D1 (0.37) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1756446 0.77 CACNA2D1 (0.33) BACE1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL18267813 0.77 CACNA2D1 (0.36) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL1884100 0.77 S1PR4 (0.30) TSHRHSD17B10

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