SCHEMBL6880175

SCHEMBL6880175

O=C(O)NO.O=S(=O)(NC1CCCC1)c1ccc2c3c(oc2c1)CCCC3

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 5/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL6882995 0.99 ALDH1A1 (0.55) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
SCHEMBL6874203 0.98 ALDH1A1 (0.53) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
Bicarbonate SCHEMBL6881965 0.94 ALDH1A1 (0.54) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
Bicarbonate SCHEMBL6879664 0.93 ALDH1A1 (0.55) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
Bicarbonate SCHEMBL6881104 0.92 ALDH1A1 (0.54) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
SCHEMBL6882777 0.92 ALDH1A1 (0.55) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
SCHEMBL6881406 0.91 ALDH1A1 (0.55) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
SCHEMBL6879937 0.82 ALDH1A1 (0.59) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
SCHEMBL6877915 0.78 ALDH1A1 (0.60) ALDH1A1LMNAHPGDTSHRSMN1; SMN2
Bicarbonate SCHEMBL6881098 0.76 ALDH1A1 (0.59) ALDH1A1LMNAHPGDTSHRSMN1; 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
EP-1210326-B1 HYDROXAMIC ACID COMPOUNDS USEFUL AS MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-25 EP claimed