SCHEMBL19669670

SCHEMBL19669670

CCCNC(=O)C1CCC(C(Oc2cccc3nc(C)c(C(=O)O)c(N)c23)c2ccc(OC3CCC(NC(=O)CCC)CC3)c3c(N)c(C(=O)O)c(C)nc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.38
▸ TNKS O95271 7/20 0.34
▸ PARP2 Q9UGN5 5/20 0.34
▸ PARP1 P09874 4/20 0.34

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
SCHEMBL10258237 0.82 SMYD3 (0.51) SMYD3TNKSPARP2PARP1
SCHEMBL10285676 0.82 SMYD3 (0.51) SMYD3TNKSPARP2PARP1
SCHEMBL20857180 0.81 KDM4E (0.33) SMYD3
SCHEMBL10257797 0.76 JAK2 (0.38) SMYD3
SCHEMBL17740878 0.75 SMYD3 (0.45) SMYD3TNKSPARP2PARP1
SCHEMBL17740891 0.75 SMYD3 (0.42) SMYD3TNKSPARP2PARP1
SCHEMBL17740921 0.75 SMYD3 (0.49) SMYD3TNKSPARP2PARP1
SCHEMBL17740988 0.75 SMYD3 (0.43) SMYD3TNKSPARP2PARP1
SCHEMBL17740879 0.74 SMYD3 (0.48) SMYD3TNKSPARP2PARP1
SCHEMBL17740893 0.74 SMYD3 (0.46) SMYD3TNKSPARP2PARP1

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
US-9834544-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-12-05 — — US disclosed
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