SCHEMBL16430045

SCHEMBL16430045

COc1ccc(CCN2C[C@H]([C@H](C)OS(C)(=O)=O)CC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 10/20 0.46
▸ KCNH2 Q12809 10/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KCNA3 P22001 1/20 0.43
▸ CACNA1D Q01668 1/20 0.43
▸ KCNA1 Q09470 1/20 0.43
▸ KCND3 Q9UK17 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL16430048 1.00 KCNA5 (0.46) KCNA5KCNH2CYP3A4CYP2C9KCNA3
SCHEMBL14662358 0.82 KMT2A (0.48) KMT2AMEN1GSK3AGSK3BPOLB
SCHEMBL16875993 0.78 TACR1 (0.42) KMT2APOLB
SCHEMBL16430114 0.77 KMT2A (0.47) CYP3A4KMT2AMEN1GSK3AGSK3B
SCHEMBL16429897 0.77 KMT2A (0.48) KMT2AMEN1GSK3AGSK3BPOLB
SCHEMBL16430127 0.77 KMT2A (0.48) KMT2AMEN1GSK3AGSK3BPOLB
SCHEMBL16430468 0.77 KMT2A (0.47) CYP3A4KMT2AMEN1GSK3AGSK3B
SCHEMBL16429891 0.76 KMT2A (0.47) KMT2AMEN1GSK3AGSK3BSIGMAR1
SCHEMBL16430124 0.76 KMT2A (0.48) CYP3A4KMT2AMEN1GSK3AGSK3B
SCHEMBL16426901 0.76 SMN1; SMN2 (0.40) KMT2APOLB

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-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 — — EP disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 — — WO disclosed
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