SCHEMBL881399

SCHEMBL881399

CC1N(CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)CCCCCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TBXA2R P21731 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
PKM P14618 1/20 0.32
RORC P51449 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL15137506 0.95 POLB (0.32) APEX1SMN1; SMN2GAAPOLBRORC
SCHEMBL15417350 0.93 PKM (0.34) APEX1SMN1; SMN2ALDH1A1TBXA2RPKM
SCHEMBL15417320 0.92 ALDH1A1 (0.34) GAAALDH1A1MAPK1
SCHEMBL1714643 0.92 POLB (0.34) APEX1SMN1; SMN2POLBALDH1A1TBXA2R
SCHEMBL23724052 0.88 APEX1 (0.36) APEX1SMN1; SMN2GAAPOLBALDH1A1
SCHEMBL1065475 0.88 APEX1 (0.36) APEX1SMN1; SMN2GAAPOLBALDH1A1
Bromide SCHEMBL861823 0.87 APEX1 (0.35) APEX1SMN1; SMN2GAAPOLBALDH1A1
SCHEMBL1067864 0.87 APEX1 (0.35) APEX1SMN1; SMN2GAAPOLBALDH1A1
SCHEMBL2535520 0.87 CYP3A4 (0.31)
SCHEMBL997083 0.86

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
WO-2012040108-A2 MULTIVALENT FLUORESCENT PROBES CALIPER LIFE SCIENCES (US) 2012-03-29 WO disclosed