SCHEMBL28526142

SCHEMBL28526142

CCOC(=O)C(C(=O)OC)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
TDP1 Q9NUW8 3/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 9/20 0.41
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPK1 P28482 3/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
PTGER4 P35408 1/20 0.40
NPC1 O15118 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 5/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2298369 0.96 TDP1 (0.45) ALDH1A1TDP1ATMMAPTPKM
SCHEMBL20703549 0.90 TDP1 (0.42) ALDH1A1TDP1ATMMAPTSMN1; SMN2
SCHEMBL20703719 0.88 MAPT (0.41) ALDH1A1TDP1ATMMAPTSMN1; SMN2
SCHEMBL3714546 0.87 ALDH1A1 (0.49) ALDH1A1TDP1ATMMAPTPKM
SCHEMBL9606830 0.86 ALDH1A1 (0.40) ALDH1A1MAPTPKMSMN1; SMN2MAPK1
SCHEMBL25947445 0.85 ALDH1A1 (0.51) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL5676255 0.84 TDP1 (0.44) ALDH1A1TDP1ATMMAPTSMN1; SMN2
SCHEMBL3223924 0.84 TDP1 (0.44) ALDH1A1TDP1ATMMAPTPKM
SCHEMBL1201863 0.83 AKR1C3 (0.46) ALDH1A1TDP1ATMMAPTSMN1; SMN2
SCHEMBL3726022 0.82 TSHR (0.49) ALDH1A1TDP1MAPTPKMSMN1; SMN2

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-112225657-A Preparation method of flurbiprofen 北京泰德制药股份有限公司 2021-01-15 CN claimed
CN-112225657-A Preparation method of flurbiprofen 北京泰德制药股份有限公司 2021-01-15 CN disclosed