SCHEMBL8208918

SCHEMBL8208918

C/C=C/C=C/CO[C@H]1CC[C@H](C2CCC(CCCCCCC)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
EPHX1 P07099 1/20 0.31
LSS P48449 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7733128 1.00 CYP1A2 (0.33) CYP1A2MEN1HTTKMT2ATP53
SCHEMBL7733131 1.00 CYP1A2 (0.33) CYP1A2MEN1HTTKMT2ATP53
SCHEMBL7733674 0.98 CYP1A2 (0.34) CYP1A2MEN1HTTKMT2APKM
SCHEMBL8207069 0.98 CYP1A2 (0.34) CYP1A2MEN1HTTKMT2APKM
SCHEMBL7733672 0.98 CYP1A2 (0.34) CYP1A2MEN1HTTKMT2APKM
SCHEMBL8207822 0.97 CYP1A2 (0.35) CYP1A2MEN1HTTKMT2ATP53
SCHEMBL7723557 0.97 CYP1A2 (0.35) CYP1A2MEN1HTTKMT2ATP53
SCHEMBL8207814 0.97 CYP1A2 (0.35) CYP1A2MEN1HTTKMT2ATP53
SCHEMBL7723559 0.97 CYP1A2 (0.35) CYP1A2MEN1HTTKMT2ATP53
SCHEMBL7733136 0.95 CYP1A2 (0.36) CYP1A2MEN1HTTKMT2ATP53

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
US-6106908-A OPTICAL APPARATUS WITH LIQUID CRYSTAL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2000-08-22 US disclosed