SCHEMBL18601587

SCHEMBL18601587

CO[C@H]1CC[C@H](N(C(=O)C2CCC(C)CC2)c2cc(C#CC(C)(C)C)sc2C(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.62
CYP2E1 P05181 1/20 0.55

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
SCHEMBL102050 1.00 NR1I2 (0.62) NR1I2CYP2E1
SCHEMBL134111 1.00 NR1I2 (0.62) NR1I2CYP2E1
SCHEMBL12910041 0.95 NR1I2 (0.61) NR1I2CYP2E1
SCHEMBL12910038 0.95 NR1I2 (0.61) NR1I2CYP2E1
SCHEMBL15498178 0.94 NR1I2 (0.63) NR1I2CYP2E1
SCHEMBL15512261 0.94 NR1I2 (0.63) NR1I2CYP2E1
SCHEMBL15233239 0.93 NR1I2 (0.69) NR1I2CYP2E1
SCHEMBL15498324 0.93 NR1I2 (0.69) NR1I2CYP2E1
SCHEMBL15498203 0.93 NR1I2 (0.69) NR1I2CYP2E1
SCHEMBL12949713 0.93 NR1I2 (0.69) 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-2523950-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed