SCHEMBL8103451

SCHEMBL8103451

C=Cc1ccc([SiH](OC)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
TP53 P04637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL28401796 0.80 ALDH1A1 (0.48) ALDH1A1TSHRTRPA1HDAC8TDP1
SCHEMBL14366693 0.80 CA12 (0.32)
Styrene SCHEMBL28935355 0.78 ALDH1A1 (0.42) ALDH1A1TSHRHDAC8
SCHEMBL2770902 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTRPA1HDAC8TDP1
SCHEMBL6752546 0.76 ALDH1A1 (0.55) ALDH1A1TSHRTRPA1HDAC8TDP1
SCHEMBL28393090 0.75 ALDH1A1 (0.42) ALDH1A1TSHRTRPA1HDAC8TDP1
SCHEMBL2772762 0.74 ALDH1A1 (0.41) ALDH1A1TSHRTRPA1HDAC8TDP1
SCHEMBL1783186 0.73 ALDH1A1 (0.58) ALDH1A1TSHRTRPA1HDAC8TDP1
SCHEMBL8380695 0.72 ALDH1A1 (0.39) ALDH1A1TSHRHDAC8CHRNB2CHRNB4
SCHEMBL6548417 0.72 ALDH1A1 (0.39) ALDH1A1TSHRTRPA1HDAC8CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136886-A RUBBER KABUSHIKI KAISHA SHOFU (JP) 2000-10-24 US disclosed
US-6063830-A SILICA AND URETHANEACRYLATE KABUSHIKI KAISHA SHOFU (JP) 2000-05-16 US disclosed
US-5250615-A Slidability; abrasion, weather, cold and impact resistance JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-10-05 US disclosed
US-5147947-A Graft polymer containing vinyl monomer; friction resistance JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-09-15 US disclosed
EP-0367219-A2 Polyorganosiloxane series thermoplastic resin and composition thereof JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-05-09 EP disclosed