SCHEMBL19955591

SCHEMBL19955591

Cc1c(-c2c(C)c3c(c(C)c2CC(=O)O)CN(C)C3)cc(F)c2c1CCCO2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
KDM4E B2RXH2 1/20 0.32
PDE4A P27815 2/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL19955759 0.89 NR1I2 (0.38) NR1I2
SCHEMBL19955506 0.89 NR1I2 (0.40) NR1I2KDM4E
SCHEMBL19955544 0.87 NR1I2 (0.37) NR1I2PDE4A
SCHEMBL19955627 0.86 NR1I2 (0.35) NR1I2PDE4A
SCHEMBL18928152 0.86 NR1I2 (0.38) NR1I2
SCHEMBL19955781 0.86 NR1I2 (0.41) NR1I2
SCHEMBL19955597 0.86 NR1I2 (0.36) NR1I2
SCHEMBL19955807 0.85 NR1I2 (0.36) NR1I2PDE4A
SCHEMBL19955601 0.85 NR1I2 (0.37) NR1I2
SCHEMBL19955737 0.85 NR1I2 (0.40) NR1I2

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-3166925-B1 ISOINDOLINE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION VIIV HEALTHCARE UK LTD (GB) 2018-03-14 EP disclosed