SCHEMBL9709283

SCHEMBL9709283

CCCCC(CC)CC(=CC(=O)O)C(=O)OCCC[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.36
ATM Q13315 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HCAR2 Q8TDS4 3/20 0.35
RECQL P46063 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
CA2 P00918 4/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
CA1 P00915 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
SCHEMBL27619467 0.83 TSHR (0.43) TSHRCYP3A4ATMTDP1HCAR2
SCHEMBL450703 0.82 TSHR (0.52) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL27602247 0.77 HCAR2 (0.47) TSHRCYP3A4ATMTDP1HCAR2
SCHEMBL31084043 0.77 CA2 (0.42) TSHRCYP3A4ATMTDP1HCAR2
SCHEMBL9193145 0.75 CA2 (0.43) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL183765 0.75 CA2 (0.43) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL2250221 0.75 CA2 (0.43) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL31084063 0.75 TSHR (0.40) TSHRCYP3A4ATMTDP1HCAR2
SCHEMBL9709137 0.74
Ammonia Solution, Strong SCHEMBL9436342 0.74 CA2 (0.42) TSHRCYP3A4ATMTDP1RECQL

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
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US claimed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP claimed
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP disclosed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US disclosed