SCHEMBL14422745

SCHEMBL14422745

C=C(C)C(=O)OCC(O)COC(=O)c1ccc2c(c1)n1n(-c3ccc(C(C)(C)C)cc3O)n21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.35
▸ ADRB1 P08588 17/20 0.35
▸ ADRB3 P13945 17/20 0.35
▸ PTPN1 P18031 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL14422735 0.86 SERPINE1 (0.34) LMNA
SCHEMBL812950 0.81 POLB (0.34) LMNA
SCHEMBL13159278 0.81 POLB (0.34) LMNA
SCHEMBL14422754 0.81 MEN1 (0.35) PTPN1
SCHEMBL14422746 0.79 SERPINE1 (0.34) LMNA
SCHEMBL13300803 0.75 PTPN1 (0.37) ADRB2ADRB1ADRB3PTPN1LMNA
SCHEMBL13300797 0.75 PTPN1 (0.53) ADRB2ADRB1ADRB3PTPN1LMNA
SCHEMBL14422742 0.75 POLB (0.34) —
SCHEMBL813115 0.75 TDP1 (0.32) LMNA
SCHEMBL13159273 0.75 TDP1 (0.32) LMNA

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-20070218218-A1 Cellulose acylate optical film, producing method thereof, polarizing plate and liquid crystal display using the same KONICA MINOLTA OPTO, INC. (JP) 2007-09-20 — — US disclosed
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