SCHEMBL21143008

SCHEMBL21143008

C=C[Si](C)(C)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP1A2 P05177 5/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
KEAP1 Q14145 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX12 P18054 1/20 0.35
HPRT1 P00492 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DHFR P00374 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHAT P28329 1/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL15301646 0.81 ALDH1A1 (0.38) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL16541070 0.81 CYP2A6 (0.38) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL15302052 0.81 ALDH1A1 (0.38) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3094174 0.80 NR1H2 (0.36) ALDH1A1TSHR
SCHEMBL16541132 0.78 TUBB4A (0.36) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL15302551 0.78 ALDH1A1 (0.39) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL275453 0.77 ALDH1A1 (0.44) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL14600076 0.76 ALDH1A1 (0.48) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL14666536 0.76 ALDH1A1 (0.48) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL275454 0.76 ALDH1A1 (0.48) CYP2A6ALDH1A1TSHRHSD17B10TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611869-B2 Curable composition and cured product AGC Inc. (JP) 2020-04-07 US claimed
US-20190218325-A1 CURABLE COMPOSITION AND CURED PRODUCT AGC Inc. (JP) 2019-07-18 US claimed
US-10611869-B2 Curable composition and cured product AGC Inc. (JP) 2020-04-07 US disclosed
US-20190218325-A1 CURABLE COMPOSITION AND CURED PRODUCT AGC Inc. (JP) 2019-07-18 US disclosed