SCHEMBL19866247

SCHEMBL19866247

COC(=O)CCC[C@@H](C)CCC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.50
▸ FOLH1 Q04609 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ KMT2A Q03164 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35

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
SCHEMBL494612 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL495106 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL494231 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL494146 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL16049088 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL17554347 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL495766 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL20025362 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL496032 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1
SCHEMBL494434 0.81 TSHR (0.54) TSHRLMNAALDH1A1SLC1A1L3MBTL1

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
EP-2855508-B1 CYCLOSPORIN A ANALOGS ALLERGAN INC (US) 2018-02-14 — — EP disclosed
Send feedback