SCHEMBL8495180

SCHEMBL8495180

CCCCCCCCCCCCCCC(C(=O)[O-])([N+](C)(C)C)S(=O)(=O)O.CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.44
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GRK2 P25098 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
DNM1 Q05193 6/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL8490429 1.00 BBOX1 (0.44) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL8492050 1.00 BBOX1 (0.44) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL6811674 1.00 BBOX1 (0.44) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL8494318 1.00 BBOX1 (0.44) BBOX1MEN1LMNAPOLBGRK2
SCHEMBL905462 0.87 CES2 (0.36)
SCHEMBL447524 0.87 CES2 (0.36)
SCHEMBL3402212 0.87 CES2 (0.36)
SCHEMBL3185089 0.87 CES2 (0.36)
SCHEMBL73154 0.87 CES2 (0.36)
SCHEMBL905454 0.87 CES2 (0.36)

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-5985275-A β-Lactoglobulin modified with aromatic anhydride compound for preventing HIV infection NEW YORK BLOOD CENTER (US) 1999-11-16 US disclosed