SCHEMBL9762013

SCHEMBL9762013

C=COC(=O)CCCCCCCCCC[Si](C)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.33
DGKA P23743 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.32
PAM P19021 2/20 0.30
EPHX2 P34913 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
SCHEMBL9763198 0.82 TSHR (0.43) TSHRLMNAALDH1A1GAADGKA
SCHEMBL9147241 0.80 CYP1A2 (0.48) TSHRALDH1A1GAADGKACYP3A4
SCHEMBL9762017 0.79 TSHR (0.45) TSHRLMNAALDH1A1GAADGKA
SCHEMBL491650 0.77 TSHR (0.50) TSHRLMNAALDH1A1DGKACYP3A4
SCHEMBL15380707 0.77 TSHR (0.50) TSHRLMNAALDH1A1DGKACYP3A4
SCHEMBL8752652 0.77 TSHR (0.50) TSHRLMNAALDH1A1DGKACYP3A4
SCHEMBL8752681 0.77 TSHR (0.50) TSHRLMNAALDH1A1DGKACYP3A4
SCHEMBL15566 0.77 TSHR (0.50) TSHRLMNAALDH1A1DGKACYP3A4
SCHEMBL20564136 0.77 TSHR (0.50) TSHRLMNAALDH1A1DGKACYP3A4
SCHEMBL29912563 0.77 TSHR (0.50) TSHRLMNAALDH1A1DGKACYP3A4

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-5000881-A Polymerizable organosilane compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-03-19 US claimed
US-5000881-A Polymerizable organosilane compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-03-19 US disclosed