SCHEMBL9745946

SCHEMBL9745946

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 1/20 0.37
ESR1 P03372 3/20 0.37
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9546135 0.86 TSHR (0.46) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL7087957 0.84 TSHR (0.50) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9746785 0.82 TSHR (0.49) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9746496 0.81 ALDH1A1 (0.44) TSHRALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9748345 0.79 TSHR (0.53) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL6209494 0.79 TSHR (0.46) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL375032 0.79 TSHR (0.57) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL27497374 0.78 TSHR (0.46) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9747388 0.78 TSHR (0.52) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL3477377 0.77 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