SCHEMBL9637784

SCHEMBL9637784

C=CC(=O)OCCCC[Si](C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.67
ALDH1A1 P00352 4/20 0.67
CYP3A4 P08684 2/20 0.67
HPGD P15428 1/20 0.60
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.42
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 3/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 4/20 0.32

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
Ammonia Solution, Strong SCHEMBL28181274 0.98 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL28821608 0.96 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL308812 0.94 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL476940 0.86 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23321870 0.85 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL15477579 0.85 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23321852 0.85 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23321545 0.85 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9122872 0.85 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9805388 0.85 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53

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
EP-0273457-B1 ANTIFOULING PAINT NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
US-4898895-A Antifouling pain having a polyacrylate component with pendent silyl or siloxane groups NIPPON OIL AND FATS CO., LTD. (JP) 1990-02-06 US disclosed
US-4883852-A SILICON CONTAINING ACRYLIC ESTER POLYMER, POLYSILOXANES NIPPON OIL AND FATS CO., LTD. (JP) 1989-11-28 US disclosed
EP-0273457-A2 Antifouling paint NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-07-06 EP disclosed