SCHEMBL7864425

SCHEMBL7864425

O=C(O)[C@H]1CC=CC[C@H]1C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 2/20 0.53
GRM4 Q14833 1/20 0.53
TSHR P16473 3/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
MAPT P10636 1/20 0.47
SHMT2 P34897 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL174303 0.83 POLB (0.54) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10739512 0.83 POLB (0.54) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL60588 0.83 POLB (0.54) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31737192 0.83 POLB (0.54) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10739509 0.83 POLB (0.54) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14433706 0.83 POLB (0.54) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15772906 0.80 GRM4 (0.54) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12839883 0.80 POLB (0.55) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
Bromide SCHEMBL7659080 0.80 POLB (0.52) POLBTDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28676184 0.80 POLB (0.52) POLBTDP1ALDH1A1KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316639-B1 REACTING DICARBOXYLIC ACIDS OR ANHYDRIDES WITH A SALT OF HYDROXYL-AMINE IN SOLUTION SELECTED FROM HYDROXYLAMINE SULFATE, HYDROXYLAMINE NITRATE, HYDROXYLAMINE ACETATE, HYDROXYLAMINE TETRAFLUOROBORATE, HYDROXYLAMINE PHOSPHATE Consortium für elektrochemische Industrie GmbH (DE) 2001-11-13 US disclosed