SCHEMBL8476703

SCHEMBL8476703

CCC(O)Oc1cc(C)cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.55
ALPL P05186 2/20 0.44
ALPI P09923 1/20 0.44
HPGD P15428 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PRSS2 P07478 1/20 0.39
CTRC Q99895 1/20 0.38

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
SCHEMBL8481378 0.84 F2 (0.56) F2PRSS2CTRC
SCHEMBL8477294 0.82 F2 (0.57) F2PRSS2CTRC
SCHEMBL8479862 0.82 ALPL (0.48) F2ALPLALPIALDH1A1POLB
SCHEMBL8476926 0.81 F2 (0.53) F2ALPLALPIHPGDMEN1
SCHEMBL5674412 0.81 F2 (0.57) F2ALPLALPIHPGDMEN1
SCHEMBL8479188 0.81 F2 (0.56) F2PRSS2CTRC
SCHEMBL8481393 0.80 F2 (0.55) F2PRSS2CTRC
Orcinol SCHEMBL5673530 0.79 F2 (0.55) F2ALPLALPIHPGDMEN1
SCHEMBL8478438 0.79 F2 (0.55) F2PRSS2CTRC
SCHEMBL8481189 0.79 F2 (0.57) F2PRSS2CTRC

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-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed