SCHEMBL10850693

SCHEMBL10850693

CCCCN(CCCC)C(=O)C(CC)(CC)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
MMP8 P22894 1/20 0.53
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
FDPS P14324 13/20 0.38
GGPS1 O95749 8/20 0.38
AGTR1 P30556 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL9004230 0.80 MMP1 (0.46) MMP1MMP2MMP3MMP8FDPS
SCHEMBL578487 0.74 FDPS (0.33) MMP1MMP2MMP3MMP8FDPS
SCHEMBL14229497 0.72 CA1 (0.48) MMP1MMP2MMP3MMP8CA12
SCHEMBL18486528 0.71 GGPS1 (0.52) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9070271 0.71 GGPS1 (0.52) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL18384478 0.71 CA1 (0.52) MMP1MMP2MMP3MMP8CA12
SCHEMBL7697441 0.71 FAAH (0.52) FDPSGGPS1
SCHEMBL6244933 0.70 MMP1 (0.52) MMP1MMP2MMP3MMP8CA12
SCHEMBL6057133 0.70 CA12 (0.50) MMP1MMP2MMP3MMP8CA12
SCHEMBL10902877 0.69 FDPS (0.48) FDPSGGPS1AGTR1OPRM1PDE3A

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
US-4564477-A DOLICHOL INTERMEDIATE KURARAY CO., LTD. (JP) 1986-01-14 US disclosed
EP-0087136-B1 NOVEL POLYPRENYL COMPOUNDS, METHOD OF PRODUCING THE SAME AND THEIR USE IN DOLICHOL PRODUCTION KURARAY CO., LTD. (JP) 1985-07-31 EP disclosed
EP-0087136-A2 Novel polyprenyl compounds, method of producing the same and their use in dolichol production KURARAY CO., LTD. (JP) 1983-08-31 EP disclosed