SCHEMBL9745827

SCHEMBL9745827

C=C(C(=O)OCCCC)C(Br)(Br)CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ESR1 P03372 8/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
FAAH O00519 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE4D Q08499 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
SCHEMBL9744973 0.84 TSHR (0.52) TSHRALDH1A1HPGDESR1ATM
SCHEMBL9746327 0.84 TSHR (0.52) TSHRALDH1A1HPGDESR1ATM
SCHEMBL9746804 0.82 ALDH1A1 (0.42) TSHRALDH1A1LMNACYP2C19CYP2D6
SCHEMBL9746066 0.78 TSHR (0.53) TSHRALDH1A1HPGDESR1ATM
SCHEMBL9745755 0.77 TSHR (0.52) TSHRALDH1A1HPGDESR1ATM
SCHEMBL221345 0.77 TSHR (0.52) TSHRALDH1A1HPGDESR1ATM
SCHEMBL9746305 0.77 TSHR (0.52) TSHRALDH1A1HPGDESR1ATM
SCHEMBL28168215 0.77 TSHR (0.52) TSHRALDH1A1HPGDESR1ATM
SCHEMBL9745845 0.75 TSHR (0.50) TSHRALDH1A1HPGDESR1ATM
SCHEMBL28166489 0.75 TSHR (0.55) 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