SCHEMBL3698326

SCHEMBL3698326

CC1CCCCC1NCCCCCCNCCCCCCNC1CCCCC1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
FUCA1 P04066 9/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
EPHX1 P07099 1/20 0.34
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCL12 P48061 1/20 0.33
CXCR4 P61073 1/20 0.33

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 0.86 S1PR1 (0.54) S1PR1S1PR3FUCA1EPHX1
SCHEMBL7609638 0.86 S1PR1 (0.54) S1PR1S1PR3FUCA1EPHX1
SCHEMBL21619467 0.84 S1PR1 (0.51) S1PR1S1PR3FUCA1EPHX1
SCHEMBL22663440 0.82 SIGMAR1 (0.58) S1PR1S1PR3FUCA1SIGMAR1
SCHEMBL22511475 0.82 SIGMAR1 (0.58) S1PR1S1PR3FUCA1SIGMAR1
SCHEMBL24953322 0.82 SIGMAR1 (0.58) S1PR1S1PR3FUCA1SIGMAR1
SCHEMBL11922817 0.82 FUCA1 (0.50) S1PR1S1PR3FUCA1TSHRNPSR1
SCHEMBL23374502 0.80 FUCA1 (0.50) S1PR1S1PR3FUCA1EPHX1
SCHEMBL24314358 0.78 FUCA1 (0.50) S1PR1S1PR3FUCA1SMN1; SMN2POLB
Alcohol SCHEMBL14109912 0.77 FUCA1 (0.50) S1PR1S1PR3FUCA1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760952-B1 FLEXIBLE PAVEMENT MARKINGS 3M INNOVATIVE PROPERTIES CO (US) 2018-03-21 EP disclosed
EP-2760952-A1 FLEXIBLE PAVEMENT MARKINGS 3M Innovative Properties Company (US) 2014-08-06 EP disclosed
US-20140213694-A1 Flexible Pavement Markings 3M IINOVATIVE PROPERTIES COMPANY (US) 2014-07-31 US disclosed
WO-2013049488-A1 FLEXIBLE PAVEMENT MARKINGS 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-04 WO disclosed
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed