SCHEMBL6900997

SCHEMBL6900997

CCCCCCCCCCCCC(C)(N)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.43
CNR1 P21554 6/20 0.43
TNNC1 P63316 5/20 0.35
S1PR1 P21453 2/20 0.35
SGPL1 O95470 1/20 0.35
S1PR4 O95977 1/20 0.35
GPR183 P32249 1/20 0.35
CERS2 Q96G23 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
P2RX7 Q99572 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMPD1 P17405 2/20 0.33
FDPS P14324 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
SCHEMBL3815476 1.00 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
SCHEMBL17800826 1.00 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
SCHEMBL17800818 1.00 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
SCHEMBL372803 1.00 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
Water SCHEMBL8529242 0.98 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
Water SCHEMBL8529963 0.98 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
Iodide SCHEMBL8168715 0.98 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
Hydrochloric Acid SCHEMBL11053875 0.98 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
Hydrochloric Acid SCHEMBL1485770 0.98 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1
Hydrochloric Acid SCHEMBL8172128 0.98 CNR2 (0.43) CNR2CNR1TNNC1S1PR1SGPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094711-B1 METHODS FOR ERADICATION OF NANOBACTERIA NANOBAC OY (FI) 2004-11-24 EP claimed
US-20160158960-A1 IRON-CORROSION INHIBITION METHOD, AND WOOD TREATMENT METHOD KATAYAMA CHEMICAL INC. (JP) 2016-06-09 US disclosed
CN-101490192-B Polishing solution for polishing low dielectric material ANJI MICROELECTRONICS CO LTD 2012-09-19 CN disclosed