SCHEMBL16684875

SCHEMBL16684875

Cc1ccc(S(=O)(=O)O)cc1CCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SFRP1 Q8N474 1/20 0.41
LTB4R Q15722 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL9581272 0.91 ALDH1A1 (0.43) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL6959651 0.89 KMT2A (0.42) KMT2AMEN1TDP1SMN1; SMN2HPGD
SCHEMBL10598218 0.86 SNCA (0.39) TDP1SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL6603886 0.86 TDP1 (0.41) KMT2AMEN1TDP1SMN1; SMN2HPGD
SCHEMBL6001842 0.85 MGLL (0.43) LMNAL3MBTL1
SCHEMBL6959646 0.85 TDP1 (0.43) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL8216186 0.84 L3MBTL1 (0.39) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL10652394 0.83 S1PR3 (0.45) KMT2AMEN1TDP1SMN1; SMN2HPGD
SCHEMBL16028578 0.83 CA2 (0.42) TDP1ALDH1A1LMNA
SCHEMBL6929015 0.83 TAS2R14 (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063154-A2 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS The Board of Trustees of the University of Illinois (US) 2016-09-07 EP disclosed
WO-2015066612-A2 CROSS-COUPLING OF UNACTIVATED SECONDARY BORONIC ACIDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-05-07 WO disclosed