SCHEMBL9745973

SCHEMBL9745973

O=C(O)c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 3/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.49
NR4A2 P43354 4/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
CFTR P13569 1/20 0.47
TP53 P04637 1/20 0.45
PLA2G4B P0C869 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXRA P19793 1/20 0.44

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
SCHEMBL8555470 0.85 HTT (0.54) HTTKMT2ASMN1; SMN2TSHRMAPT
SCHEMBL1985055 0.82 L3MBTL1 (0.60) SMN1; SMN2TSHRALDH1A1PKMMAPK1
SCHEMBL9143135 0.82 TSHR (0.78) HTTKMT2ASMN1; SMN2TSHRMAPT
SCHEMBL25788236 0.81 TSHR (0.69) TSHRMAPTUSP2ALDH1A1HSD17B10
SCHEMBL3040886 0.81 LTA4H (0.55) HTTKMT2ASMN1; SMN2TSHRMAPT
SCHEMBL6634317 0.80 KMT2A (0.50) HTTKMT2ASMN1; SMN2TSHRMAPT
SCHEMBL1496817 0.80 NPSR1 (0.51) HTTKMT2ASMN1; SMN2TSHRMAPT
SCHEMBL28052256 0.80 ALDH1A1 (0.50) KMT2ATSHRMAPTALDH1A1HSD17B10
SCHEMBL23804499 0.79 PKM (0.53) SMN1; SMN2TSHRALDH1A1HSD17B10PKM
SCHEMBL27697782 0.79 NR4A2 (0.54) HTTSMN1; SMN2TSHRUSP2ALDH1A1

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-5082587-A ACHIRAL FLUORINE-CONTAINING LIQUID CRYSTALS 3M INNOVATIVE PROPERTIES COMPANY 1992-01-21 US disclosed