SCHEMBL13074972

SCHEMBL13074972

CC(C)(CN)OCC(C)(C)OCCn1cc(CCC(=O)N[C@@H]2CSSC[C@H](C(=O)O)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]3CSSC(NC(=O)[C@@H](CC(=O)O)NC2=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N3)nn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.46
▸ CHRNA10 Q9GZZ6 1/20 0.46
▸ CHRNA9 Q9UGM1 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ TSLP Q969D9 14/20 0.46
▸ MC4R P32245 3/20 0.43
▸ MC5R P33032 3/20 0.43
▸ MC3R P41968 3/20 0.43
▸ MC1R Q01726 3/20 0.43
▸ CTSG P08311 1/20 0.42

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
SCHEMBL13038593 0.87 ITGB3 (0.53) CHRNA7CHRNA10CHRNA9ITGB3ITGB1
SCHEMBL14274987 0.85 CHRNA10 (0.55) CHRNA7CHRNA10CHRNA9ITGB3ITGB1
SCHEMBL12146083 0.79 TSLP (0.56) TSLPMC4RMC5RMC3RMC1R
SCHEMBL13038609 0.78 CHRNA10 (0.55) CHRNA7CHRNA10CHRNA9TSLPMC4R
SCHEMBL13038608 0.77 MC4R (0.51) ITGB3TSLPMC4RMC5RMC3R
SCHEMBL13881404 0.77 MC4R (0.51) ITGB3TSLPMC4RMC5RMC3R
SCHEMBL15397365 0.74 ITGB3 (0.59) CHRNA7CHRNA10CHRNA9ITGB3ITGB1
SCHEMBL10138562 0.74 ITGB3 (0.59) CHRNA7CHRNA10CHRNA9ITGB3ITGB1
SCHEMBL13319649 0.70 CTSG (0.69) TSLPCTSG
SCHEMBL12463308 0.70 ITGB3 (0.57) ITGB3ITGB1ITGAVITGA5TSLP

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
WO-2010129581-A1 POLYMER MICELLES CONTAINING SN-38 FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-11 — — WO disclosed
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