SCHEMBL28801748

SCHEMBL28801748

C[C](C)COc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
POLB P06746 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
S1PR1 P21453 1/20 0.40
NR1H2 P55055 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
PTPN1 P18031 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 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
SCHEMBL12440410 0.81 MAPT (0.54) GAAPOLBGLATSHRNR1H2
SCHEMBL26460476 0.81 GAA (0.53) GAAPOLBGLATSHRS1PR1
SCHEMBL2793455 0.81 GAA (0.46) GAAPOLBGLATSHRS1PR1
SCHEMBL3541070 0.80 MAPK1 (0.55) GAAPOLBGLARXRARXRB
SCHEMBL2791295 0.80 ALDH1A1 (0.53) GAAPOLBGLATSHRS1PR1
SCHEMBL28390457 0.79 GAA (0.60) GAAPOLBGLATSHRS1PR1
SCHEMBL8178482 0.79 GLA (0.47) GAAPOLBGLATSHRNR1H2
SCHEMBL18324631 0.79 POLB (0.47) GAAPOLBGLATSHRS1PR1
SCHEMBL12678747 0.77 GAA (0.46) GAAPOLBGLATSHRS1PR1
SCHEMBL2791165 0.77 POLB (0.48) GAAPOLBGLATSHRS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101922061-B Polyimide fiber and preparation method thereof UNIV DONGHUA 2013-04-03 CN claimed
CN-101922061-B Polyimide fiber and preparation method thereof UNIV DONGHUA 2013-04-03 CN disclosed