SCHEMBL4886752

SCHEMBL4886752

CCCCC1CCCN1CC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 3/20 0.51
S1PR5 Q9H228 3/20 0.51
S1PR4 O95977 1/20 0.49
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
SPHK2 Q9NRA0 5/20 0.40
SPHK1 Q9NYA1 5/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL25548978 1.00 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4ALDH1A1
Cyanide SCHEMBL30330584 0.94 S1PR1 (0.48) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL27363212 0.94 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4ALDH1A1
Fluoride SCHEMBL30212964 0.92 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4ALDH1A1
Bromide SCHEMBL28038350 0.92 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4ALDH1A1
Acetic Acid SCHEMBL30331105 0.89 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4ALDH1A1
Cyanide SCHEMBL30331603 0.88 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL3742375 0.88 S1PR1 (0.59) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL30538435 0.88 S1PR1 (0.56) S1PR1S1PR3S1PR5S1PR4ALDH1A1
SCHEMBL7023481 0.88 S1PR1 (0.60) S1PR1S1PR3S1PR5S1PR4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060049102-A1 Ionic polymer membranes BP CORPORATION NORTH AMERICA INC. 2006-03-09 US claimed
CN-116648765-A Ionic polymers and copolymers 十二益公司 2023-08-25 CN disclosed
CN-116635963-A Semi-interpenetrating and cross-linked polymer and film thereof 十二益公司 2023-08-22 CN disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20080223785-A1 Ionic Polymer Membranes MILLER JEFFREY T 2008-09-18 US disclosed
CN-101010130-A Ionic polymer membranes BP CORP NORTH AMERICA INC (US) 2007-08-01 CN disclosed
EP-1784250-A2 IONIC POLYMER MEMBRANES BP Corporation North America Inc. (US) 2007-05-16 EP disclosed
WO-2006028529-A2 IONIC POLYMER MEMBRANES BP CORPORATION NORTH AMERICA INC. (US) 2006-03-16 WO disclosed
US-20060049102-A1 Ionic polymer membranes BP CORPORATION NORTH AMERICA INC. 2006-03-09 US disclosed