SCHEMBL9159798

SCHEMBL9159798

CC(C)COC(=O)[C@@H](C)OS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSP90AA1 P07900 1/20 0.42
POLB P06746 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL9159810 1.00 MAPT (0.43) MAPTALDH1A1HSP90AA1POLBADRB2
SCHEMBL8874363 0.88 RAB9A (0.49) MAPTALDH1A1HSP90AA1POLBLMNA
SCHEMBL8874371 0.88 RAB9A (0.49) MAPTALDH1A1HSP90AA1POLBLMNA
SCHEMBL10615659 0.85 POLB (0.51) ALDH1A1HSP90AA1POLBADRB2ADRB1
SCHEMBL15630892 0.85 POLB (0.51) ALDH1A1HSP90AA1POLBADRB2ADRB1
SCHEMBL15631944 0.85 POLB (0.51) ALDH1A1HSP90AA1POLBADRB2ADRB1
SCHEMBL10867412 0.81 MMP9 (0.50) ALDH1A1HSP90AA1POLBLMNASMN1; SMN2
SCHEMBL4371962 0.81 MMP9 (0.50) ALDH1A1HSP90AA1POLBLMNASMN1; SMN2
SCHEMBL370179 0.80 POLB (0.49) MAPTALDH1A1HSP90AA1POLBLMNA
SCHEMBL370180 0.80 POLB (0.49) MAPTALDH1A1HSP90AA1POLBLMNA

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-5457085-A Herbicides SANDOZ LTD. (CH) 1995-10-10 US disclosed