SCHEMBL7741337

SCHEMBL7741337

C=CCCc1ccc(C2CCC(C3CCCCC3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.37
SPHK2 Q9NRA0 7/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL7741332 1.00 SPHK1 (0.37) SPHK1SPHK2ALOX5LMNAHTT
SCHEMBL3133878 0.90 HTR2C (0.38) SPHK1LMNAHTTPTGES2HTR2C
SCHEMBL7741322 0.80 SPHK1 (0.33) SPHK1SPHK2ALOX5
SCHEMBL7741326 0.80 SPHK1 (0.33) SPHK1SPHK2ALOX5
SCHEMBL12031989 0.78 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL6454338 0.78 SPHK1 (0.32) SPHK1ALOX5
SCHEMBL6454331 0.78 SPHK1 (0.32) SPHK1ALOX5
SCHEMBL7745428 0.77 ALDH1A1 (0.38) SPHK1HTT
SCHEMBL19267641 0.77 SPHK1 (0.31) SPHK1
SCHEMBL7745424 0.77 ALDH1A1 (0.38) SPHK1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891314-B1 BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORP (JP) 2001-09-05 EP disclosed
US-6180027-B1 DISPLAY DEVICE CHISSO CORPORATION (JP) 2001-01-30 US disclosed
EP-0891314-A1 BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1999-01-20 EP disclosed
WO-1997034855-A1 BISALKENYL DERIVATIVES, LIQUID CRYSTALLINE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1997-09-25 WO disclosed