SCHEMBL9745845

SCHEMBL9745845

C=C(C(=O)OCCCC)C(C)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.42
ESR1 P03372 2/20 0.41
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
NAAA Q02083 1/20 0.37
CES2 O00748 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
EPHX1 P07099 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL221345 0.87 TSHR (0.52) TSHRALDH1A1HPGDATMESR1
SCHEMBL9746066 0.85 TSHR (0.53) TSHRALDH1A1HPGDATMESR1
SCHEMBL28168215 0.83 TSHR (0.52) TSHRALDH1A1HPGDATMESR1
SCHEMBL9745755 0.83 TSHR (0.52) TSHRALDH1A1HPGDATMESR1
SCHEMBL9744973 0.83 TSHR (0.52) TSHRALDH1A1HPGDATMESR1
SCHEMBL9578461 0.83 TSHR (0.45) TSHRALDH1A1HPGDATMESR1
SCHEMBL9578456 0.82 TSHR (0.47) TSHRALDH1A1HPGDATMESR1
SCHEMBL4651717 0.81 TSHR (0.59) TSHRALDH1A1RAD52NPSR1HCAR2
SCHEMBL28166489 0.81 TSHR (0.55) TSHRALDH1A1HPGDATMRAD52
SCHEMBL9747120 0.80 ALDH1A1 (0.45) TSHRALDH1A1NPSR1CES2THRB

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