SCHEMBL19308189

SCHEMBL19308189

C[C@@H](O)[C@@H]1NC[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)NCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 8/20 0.51
▸ SSTR3 P32745 6/20 0.46
▸ SSTR5 P35346 6/20 0.46
▸ SSTR1 P30872 5/20 0.46
▸ SSTR4 P31391 5/20 0.46
▸ HDAC8 Q9BY41 3/20 0.44
▸ KDM4A O75164 1/20 0.42
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ TACR2 P21452 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
SCHEMBL18712664 0.97 SSTR2 (0.50) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL18712684 0.88 SSTR2 (0.54) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL18712392 0.85 SSTR2 (0.54) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL18712686 0.83 SSTR2 (0.54) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL19542333 0.83 SSTR2 (0.52) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL18712394 0.82 SSTR2 (0.54) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL19308273 0.82 SSTR2 (0.54) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL19308237 0.81 SSTR2 (0.45) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL18712398 0.80 SSTR2 (0.53) SSTR2SSTR3SSTR5SSTR1SSTR4
SCHEMBL18712662 0.78 SSTR2 (0.52) SSTR2SSTR3SSTR5SSTR1SSTR4

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-9750818-B2 Targeted conjugates and particles and formulations thereof TARVEDA THERAPEUTICS, INC. (US) 2017-09-05 — — US disclosed
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