SCHEMBL11754103

SCHEMBL11754103

CCCCN1C(=O)CCC1(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR4 O95977 1/20 0.40
CYP19A1 P11511 15/20 0.37
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL11755440 0.83 P2RX7 (0.33) CYP19A1
SCHEMBL17450408 0.75 MEN1 (0.40) S1PR1S1PR3S1PR5S1PR4CYP19A1
SCHEMBL7437496 0.68 FAAH (0.35) CYP19A1FAAHMGLL
SCHEMBL14896329 0.64 ALDH1A1 (0.39) FAAHMGLL
SCHEMBL16685025 0.64 FAAH (0.38) CYP19A1FAAHMGLL
SCHEMBL23365641 0.63 FAAH (0.50) CYP19A1FAAHMGLL
SCHEMBL4094110 0.61 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4
SCHEMBL4094707 0.61 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4
SCHEMBL20245283 0.61 PLA2G7 (0.50) CYP19A1FAAHMGLL
SCHEMBL5963786 0.60 MGLL (0.61) CYP19A1FAAHMGLL

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
US-4034086-A TREATMENT OF DISEASES RELATED TO ABNORMAL DEPOSITION OR DISSOLUTION OF DIFFICULTY SOLUBLE CALCIUM SALTS HENKEL & CIE G.M.B.H. (DT) 1977-07-05 US disclosed
US-3960888-A TOOTHPASTES, MOUTHWASHES, SEQUESTERING AGENT, STABILIZER HENKEL & CIE G.M.B.H. (DT) 1976-06-01 US disclosed