SCHEMBL7778149

SCHEMBL7778149

CCCCCNC1CCCCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.60
GNAO1 P09471 2/20 0.60
GNAI1 P63096 2/20 0.60
EPHX1 P07099 11/20 0.55
EPHX2 P34913 2/20 0.53
S1PR4 O95977 2/20 0.51
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 2/20 0.51
S1PR5 Q9H228 1/20 0.51
CXCR4 P61073 2/20 0.47
CXCL12 P48061 1/20 0.47
NAAA Q02083 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL561543 1.00 GNAI3 (0.60) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL24437800 1.00 GNAI3 (0.60) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL15375291 0.98 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL6061812 0.98 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL7171829 0.98 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL1485624 0.98 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL20975893 0.98 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL22472718 0.98 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL20991764 0.98 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1EPHX2
SCHEMBL6322490 0.98 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX1EPHX2

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
WO-2022101453-A1 COMPOUNDS AND METHODS FOR TREATING A CYTOKINE-MEDIATED DISEASE Conservatoire National des Arts et Métiers (FR) 2022-05-19 WO disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed