SCHEMBL9508994

SCHEMBL9508994

C=CC[C@H]1CC[C@H](C2CCC(C(C=C)c3ccccc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
CYP2C19 P33261 1/20 0.31
OPRD1 P41143 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
SCHEMBL11014789 0.95 IDO1 (0.35) IDO1CYP2C19OPRD1
SCHEMBL10360249 0.77 GAA (0.37) IDO1CYP2C19OPRD1
SCHEMBL461672 0.76 IDO1 (0.42) IDO1OPRD1
SCHEMBL10784398 0.74 IDO1 (0.49) IDO1
SCHEMBL10815112 0.73 IDO1 (0.40) IDO1CYP2C19
SCHEMBL10783696 0.73 IDO1 (0.40) IDO1CYP2C19
SCHEMBL9242057 0.73 IDO1 (0.40) IDO1CYP2C19
SCHEMBL11313360 0.73 IDO1 (0.40) IDO1CYP2C19
SCHEMBL9242051 0.73 IDO1 (0.40) IDO1CYP2C19
SCHEMBL1702617 0.71 SLC6A2 (0.42)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318003-B1 A liquid crystal composition for twist nematic mode CHISSO CORP (JP) 1993-10-20 EP disclosed
US-4923632-A LOW THRESHOLD-VOLTAGE AND TEMPERATURE DEPENDENCY; CYCLOHEXYL-AND FLUORO-SUBSTITUTED BENZENE CHISSO CORPORATION (JP) 1990-05-08 US disclosed