SCHEMBL8900907

SCHEMBL8900907

CCCCCCCN1C=CC(C)(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.35
GNAO1 P09471 3/20 0.35
GNAI1 P63096 3/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR4 O95977 1/20 0.34
SIGMAR1 Q99720 5/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 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
SCHEMBL8900492 1.00 GNAI3 (0.35) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL8899597 1.00 GNAI3 (0.35) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL16137354 0.79 S1PR1 (0.30) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL28287505 0.71 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL27450698 0.71 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL23912452 0.71 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL27451155 0.71 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL28282304 0.71 GNAI3 (0.38) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL5300666 0.69 GUSB (0.42) GNAI3GNAO1GNAI1SIGMAR1ALDH1A1
SCHEMBL5287303 0.69 GUSB (0.42) GNAI3GNAO1GNAI1SIGMAR1ALDH1A1

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-0462123-B1 UV-ABSORBING COMPOUNDS AND COMPOSITIONS AUSTRALIAN INST MARINE SCIENCE (AU) 1997-09-24 EP disclosed
EP-0462123-A1 UV-ABSORBING COMPOUNDS AND COMPOSITIONS. ICI AUSTRALIA OPERATIONS (AU) 1991-12-27 EP disclosed
EP-0462123-A4 UV-ABSORBING COMPOUNDS AND COMPOSITIONS. ICI AUSTRALIA OPERATIONS (AU) 1991-11-06 EP disclosed
WO-1990009995-A1 UV-ABSORBING COMPOUNDS AND COMPOSITIONS ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1990-09-07 WO disclosed