SCHEMBL8728016

SCHEMBL8728016

C/C=C/c1ccc(C2CCC(c3ccc(COCC=CCC)cc3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.35
KDM1A O60341 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
ALOX5 P09917 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SPHK2 Q9NRA0 4/20 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
SCHEMBL8728024 1.00 SPHK1 (0.35) SPHK1KDM1AHTR2AHTR2CHTR2B
SCHEMBL8728021 1.00 SPHK1 (0.35) SPHK1KDM1AHTR2AHTR2CHTR2B
SCHEMBL8728012 1.00 SPHK1 (0.35) SPHK1KDM1AHTR2AHTR2CHTR2B
SCHEMBL8732177 0.91 HTR2A (0.36) SPHK1KDM1AHTR2AHTR2CHTR2B
SCHEMBL8732183 0.91 HTR2A (0.36) SPHK1KDM1AHTR2AHTR2CHTR2B
SCHEMBL8732178 0.91 HTR2A (0.36) SPHK1KDM1AHTR2AHTR2CHTR2B
SCHEMBL8732182 0.91 HTR2A (0.36) SPHK1KDM1AHTR2AHTR2CHTR2B
SCHEMBL8730709 0.86 SPHK1 (0.33) SPHK1
SCHEMBL8730701 0.86 SPHK1 (0.33) SPHK1
SCHEMBL8730694 0.86 SPHK1 (0.33) SPHK1

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