SCHEMBL8558651

SCHEMBL8558651

CCCC/C=C/C(=O)OC1CCC(c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.37
CCR2 P41597 1/20 0.32
ESR2 Q92731 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
RAB9A P51151 1/20 0.30
MAPT P10636 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
SCHEMBL7894065 0.83 NAAA (0.37) NR1H4CCR2
SCHEMBL7022073 0.83 NAAA (0.37) NR1H4CCR2
SCHEMBL8520503 0.83 NR1H4 (0.34) NR1H4CCR2RAB9A
SCHEMBL8520504 0.83 NR1H4 (0.34) NR1H4CCR2RAB9A
SCHEMBL7023663 0.82 NR1H4 (0.33) NR1H4
SCHEMBL7023661 0.82 NR1H4 (0.33) NR1H4
SCHEMBL7023669 0.82 NR1H4 (0.33) NR1H4
SCHEMBL7023658 0.82 NR1H4 (0.33) NR1H4
SCHEMBL7021614 0.81 SPHK1 (0.33) NR1H4
SCHEMBL7021605 0.81 SPHK1 (0.33) NR1H4

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-0929509-A1 LIQUID CRYSTAL ALKENYL BICYCLO 2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-07-21 EP disclosed
WO-1998013326-A1 LIQUID CRYSTAL ALKENYL BICYCLO[2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-04-02 WO disclosed