SCHEMBL14747618

SCHEMBL14747618

CCCCO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](C)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTPN1 P18031 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ F11 P03951 2/20 0.39
▸ GAPDH P04406 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ RNASEL Q05823 1/20 0.38

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
SCHEMBL14838203 0.93 LMNA (0.40) LMNAMEN1USP2POLBKMT2A
SCHEMBL14413572 0.91 PTPN1 (0.51) LMNAMEN1USP2POLBKMT2A
SCHEMBL17850338 0.87 PTPN1 (0.49) LMNAMEN1USP2POLBKMT2A
SCHEMBL26822757 0.87 PTPN1 (0.49) LMNAMEN1USP2POLBKMT2A
SCHEMBL14725505 0.86 LMNA (0.43) LMNAMEN1USP2POLBKMT2A
SCHEMBL19473210 0.86 USP2 (0.40) MEN1USP2POLBKMT2APTPN1
SCHEMBL19473211 0.86 MEN1 (0.40) LMNAMEN1USP2POLBKMT2A
SCHEMBL16559639 0.86 MEN1 (0.40) MEN1USP2POLBKMT2APTPN1
SCHEMBL15833434 0.86 PTPN1 (0.48) LMNAMEN1USP2POLBKMT2A
SCHEMBL16299427 0.86 PTPN1 (0.48) LMNAMEN1USP2POLBKMT2A

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-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 — — US disclosed
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