SCHEMBL17641433

SCHEMBL17641433

C=C[C@]1(COCCCC)O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@H](OC(C)=O)[C@@H]1OCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ POLA1 P09884 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ HINT1 P49773 2/20 0.30
▸ IMPDH2 P12268 1/20 0.30

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
SCHEMBL17000749 0.87 KDM4E (0.42) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL18045591 0.86 KDM4E (0.41) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL21166690 0.86 KDM4E (0.41) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL18513340 0.83 KDM4E (0.40) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL17641398 0.80 AHCY (0.49) —
SCHEMBL18513298 0.78 KDM4E (0.45) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL17641479 0.77 HINT1 (0.46) HINT1
SCHEMBL29546511 0.77 KDM4E (0.43) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL29546557 0.76 KDM4E (0.40) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL18513423 0.76 KDM4E (0.41) KDM4ETAS1R3TAS1R1ALDH1A1MEN1

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-2016049415-A1 4'-VINYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS RNA REPLICATION RIBOSCIENCE LLC (US) 2016-03-31 — — WO disclosed
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