SCHEMBL9163324

SCHEMBL9163324

CCCCCCCCCCCCCCCCC(O)CN1CCN=C1CCCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.36
KDR P35968 1/20 0.36
GPR84 Q9NQS5 5/20 0.35
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSMD14 O00487 2/20 0.31
PLA2G1B P04054 2/20 0.31
MMP2 P08253 2/20 0.31
ATG4B Q9Y4P1 2/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL9166170 1.00 ADA (0.36) ADAKDRGPR84FFAR4FFAR1
SCHEMBL9172818 1.00 ADA (0.36) ADAKDRGPR84FFAR4FFAR1
SCHEMBL9161023 1.00 ADA (0.36) ADAKDRGPR84FFAR4FFAR1
SCHEMBL9170702 1.00 ADA (0.36) ADAKDRGPR84FFAR4FFAR1
SCHEMBL11481562 1.00 ADA (0.36) ADAKDRGPR84FFAR4FFAR1
SCHEMBL11472662 0.97 ADA (0.34) ADAKDRGPR84FFAR4FFAR1
SCHEMBL28096647 0.87 SCD (0.33)
SCHEMBL9240893 0.85 SCD (0.32)
SCHEMBL9133209 0.85 SCD (0.32)
SCHEMBL9130228 0.85 SCD (0.32)

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-0326222-B1 Process for preparing substituted imidazoline fabric conditioning compounds PROCTER & GAMBLE (US) 1995-04-12 EP disclosed
US-5013846-A Process for preparing substituted imidazoline fabric conditioning compounds THE PROCTER & GAMBLE COMPANY (US) 1991-05-07 US disclosed
EP-0326222-A2 Process for preparing substituted imidazoline fabric conditioning compounds THE PROCTER & GAMBLE COMPANY (US) 1989-08-02 EP disclosed