SCHEMBL7989753

SCHEMBL7989753

CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CA2 P00918 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CCR3 P51677 2/20 0.41

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
SCHEMBL9145893 0.84 CA2 (0.57) ALDH1A1LMNAMEN1KMT2AGLA
SCHEMBL9145882 0.84 CA2 (0.57) ALDH1A1LMNAMEN1KMT2AGLA
SCHEMBL5117148 0.83 PPID (0.50) LMNA
SCHEMBL1620272 0.82 PPARG (0.56) ALDH1A1MAPTSMN1; SMN2GAAITGA4
SCHEMBL13913371 0.82 PPARG (0.56) ALDH1A1MAPTSMN1; SMN2GAAITGA4
SCHEMBL3935722 0.82 PPARG (0.56) ALDH1A1MAPTSMN1; SMN2GAAITGA4
SCHEMBL13013230 0.82 TP53 (0.52) GAA
SCHEMBL7276676 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMAPTKMT2AHPGD
Hydrochloric Acid SCHEMBL7986763 0.81 LMNA (0.47) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL3936094 0.80 RAB9A (0.60) ALDH1A1LMNAMAPTMEN1KMT2A

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed