SCHEMBL8094834

SCHEMBL8094834

CCC1CCC(C2CCC(c3ccc(OC(F)F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
CYP2C9 P11712 2/20 0.35
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
MDM2 Q00987 1/20 0.34
MAPT P10636 1/20 0.33
MAT2A P31153 1/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL8094827 1.00 IDO1 (0.46) IDO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL8094839 1.00 IDO1 (0.46) IDO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9061568 0.95 IDO1 (0.48) IDO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9061563 0.95 IDO1 (0.48) IDO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9060835 0.91 IDO1 (0.46) IDO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9060840 0.91 IDO1 (0.46) IDO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9060950 0.89 IDO1 (0.44) IDO1MEN1KMT2ALMNAHTT
SCHEMBL7513854 0.89 CYP2C9 (0.48) IDO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10337587 0.89 CYP2C9 (0.48) IDO1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9060940 0.89 IDO1 (0.44) IDO1MEN1KMT2ALMNAHTT

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
US-6166798-A TN cell having improved display of grey shades MERCK KGAA (DE) 2000-12-26 US disclosed
EP-0592635-B1 TN CELL WITH IMPROVED GREY-SHADE REPRESENTATION MERCK PATENT GMBH (DE) 1998-10-14 EP disclosed