SCHEMBL7609638

SCHEMBL7609638

CCCCCCCCNC1CCCCC1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
FUCA1 P04066 9/20 0.53
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
NAAA Q02083 1/20 0.42
PIM1 P11309 1/20 0.42
GBA1 P04062 3/20 0.41
EPHX1 P07099 3/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL8890392 1.00 S1PR1 (0.54) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL21619467 0.98 S1PR1 (0.51) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL23374502 0.94 FUCA1 (0.50) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL11922817 0.92 FUCA1 (0.50) S1PR1S1PR3FUCA1PIM1EPHX1
SCHEMBL24314358 0.88 FUCA1 (0.50) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL8580607 0.88 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL8580603 0.88 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL6278007 0.88 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL1932046 0.88 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1
SCHEMBL1931621 0.88 S1PR1 (0.60) S1PR1S1PR3FUCA1GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265844-A1 METHOD FOR PRODUCING AMINES BY THE HYDROAMINOMETHYLATION OF OLEFINS IN THE PRESENCE OF IONIC LIQUIDS Bayer Aktiengesellschaft (DE) 2002-12-18 EP disclosed
WO-2001064621-A1 METHOD FOR PRODUCING AMINES BY THE HYDROAMINOMETHYLATION OF OLEFINS IN THE PRESENCE OF IONIC LIQUIDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed