SCHEMBL9580653

SCHEMBL9580653

CC(=Cc1ccc(C=[N+]([O-])C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TBXAS1 P24557 5/20 0.39
FBP1 P09467 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL2462984 0.78 AKR1C3 (0.82) AKR1C3ALDH1A1TDP1TBXAS1L3MBTL1
SCHEMBL2462983 0.78 AKR1C3 (0.82) AKR1C3ALDH1A1TDP1TBXAS1L3MBTL1
SCHEMBL4261334 0.78 FBP1 (0.50) ALDH1A1KMT2ATDP1FBP1L3MBTL1
SCHEMBL2801170 0.78 FBP1 (0.50) ALDH1A1KMT2ATDP1FBP1L3MBTL1
SCHEMBL4261335 0.78 FBP1 (0.50) ALDH1A1KMT2ATDP1FBP1L3MBTL1
SCHEMBL9065427 0.76 AKR1C3 (0.61) AKR1C3ALDH1A1TBXAS1FBP1TSHR
SCHEMBL481147 0.75 AKR1C3 (0.58) AKR1C3ALDH1A1KMT2ATDP1TBXAS1
SCHEMBL17009045 0.75 AKR1C3 (0.58) AKR1C3ALDH1A1KMT2ATDP1TBXAS1
SCHEMBL52681 0.75 AKR1C3 (0.58) AKR1C3ALDH1A1KMT2ATDP1TBXAS1
SCHEMBL8002732 0.74 MAPT (0.49) ALDH1A1KMT2ATDP1GAAHSD17B10

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-5176983-A POLYMERIC NITRONES HAVING AN ACRYLIC BACKBONE CHAIN ALLIED-SIGNAL INC. (US) 1993-01-05 US disclosed