SCHEMBL8730985

SCHEMBL8730985

CC=CCOCc1ccc(CC[C@H]2CC[C@H](CCc3ccc(C=CC)cc3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.38
HTR2A P28223 6/20 0.38
HTR2C P28335 6/20 0.38
HTR2B P41595 6/20 0.38
DRD2 P14416 3/20 0.35
ALOX5 P09917 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOB P27338 4/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL8730981 1.00 SIGMAR1 (0.38) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8730975 1.00 SIGMAR1 (0.38) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8730970 1.00 SIGMAR1 (0.38) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8728236 0.85 GPR84 (0.32) SIGMAR1HTR2AHTR2CHTR2BGPR84
SCHEMBL8728232 0.85 GPR84 (0.32) SIGMAR1HTR2AHTR2CHTR2BGPR84
SCHEMBL8728238 0.85 GPR84 (0.32) SIGMAR1HTR2AHTR2CHTR2BGPR84
SCHEMBL8728229 0.85 GPR84 (0.32) SIGMAR1HTR2AHTR2CHTR2BGPR84
SCHEMBL8730401 0.85 SPHK1 (0.38) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8730391 0.85 SPHK1 (0.38) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8730388 0.85 SPHK1 (0.38) SIGMAR1HTR2AHTR2CHTR2BDRD2

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-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed