SCHEMBL16430124

SCHEMBL16430124

COCC[C@@H](O)[C@@H]1CC(=O)N(CCc2ccc(OC)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL16430468 0.92 KMT2A (0.47) KMT2AMEN1CYP3A4CYP2C19TDP1
SCHEMBL16430114 0.92 KMT2A (0.47) KMT2AMEN1CYP3A4CYP2C19TDP1
SCHEMBL16430127 0.87 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL14662358 0.86 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16430034 0.85 KMT2A (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL16429897 0.83 KMT2A (0.48) KMT2AMEN1SMN1; SMN2GSK3AGSK3B
SCHEMBL16429891 0.82 KMT2A (0.47) KMT2AMEN1TDP1SMN1; SMN2GSK3A
SCHEMBL16430056 0.77 KMT2A (0.56) KMT2AMEN1CYP3A4CYP2C19TDP1
SCHEMBL16430059 0.77 KMT2A (0.56) KMT2AMEN1CYP3A4CYP2C19TDP1
SCHEMBL16430048 0.76 KCNA5 (0.46) KMT2AMEN1CYP3A4GSK3AGSK3B

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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