SCHEMBL9745135

SCHEMBL9745135

C=C(C(=O)OCCCC)C(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 2/20 0.37
EPHX1 P07099 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36

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
SCHEMBL28268101 0.93 TSHR (0.62) TSHRALDH1A1HCAR2NAAARAD52
SCHEMBL6662257 0.87 TSHR (0.50) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9745996 0.85 TSHR (0.49) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9747073 0.84 TSHR (0.47) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL3080867 0.82 TSHR (0.53) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL6200579 0.82 TSHR (0.53) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL7868010 0.82 TSHR (0.46) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9747388 0.81 TSHR (0.52) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL7123449 0.81 TSHR (0.52) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9745490 0.81 TSHR (0.52) TSHRALDH1A1HPGDATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed