SCHEMBL14818407

SCHEMBL14818407

CC1CCC(C(=O)N(c2cc(C3CCC(C)CC3)sc2C(=O)O)C2CCC(O)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.41
CYP2E1 P05181 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
SCHEMBL2106156 0.94 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL2102645 0.94 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL2105049 0.94 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL2611989 0.94 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL2102649 0.94 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL2107403 0.94 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL14818393 0.90 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL2106759 0.89 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL2106396 0.89 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL2106398 0.89 NR1I2 (0.42) NR1I2CYP2E1

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-1879879-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2013-03-27 EP disclosed