SCHEMBL15539611

SCHEMBL15539611

COC(=O)[C@H](O)[C@@H](O)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
PDE4D Q08499 1/20 0.37
FABP4 P15090 1/20 0.37
NR4A2 P43354 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
SCHEMBL17093284 1.00 KMT2A (0.39) KMT2AALDH1A1CA12CA1CA2
SCHEMBL28369059 1.00 KMT2A (0.39) KMT2AALDH1A1CA12CA1CA2
SCHEMBL16795960 0.83 CASP1 (0.46) KMT2AALDH1A1CA12CA1CA2
SCHEMBL15540561 0.83 CASP1 (0.46) KMT2AALDH1A1CA12CA1CA2
SCHEMBL15540183 0.83 CASP1 (0.46) KMT2AALDH1A1CA12CA1CA2
SCHEMBL15540078 0.81 CASP1 (0.47) KMT2AALDH1A1
SCHEMBL16795806 0.81 CASP1 (0.47) KMT2AALDH1A1
SCHEMBL15538964 0.81 CASP1 (0.47) KMT2AALDH1A1
SCHEMBL18783343 0.81 CASP1 (0.47) KMT2AALDH1A1
SCHEMBL30444591 0.81 CASP1 (0.47) KMT2AALDH1A1

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-2861571-A1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME Bio-Pharm Solutions Co., Ltd. (KR) 2015-04-22 EP disclosed
WO-2013187727-A1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-12-19 WO disclosed