SCHEMBL31291184

SCHEMBL31291184

O=[PH](O)CCCCCCCO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL31291211 1.00 GPR84 (0.38) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL29897732 1.00 GPR84 (0.38) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL4629144 0.97
SCHEMBL8652809 0.88
SCHEMBL2519667 0.84
SCHEMBL1443927 0.79 GPR84 (0.39) GPR84FFAR1FFAR4LMNAALDH1A1
Butane SCHEMBL27820271 0.78 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10MEN1KMT2A
1,4-Butanediol SCHEMBL27920186 0.77 SMN1; SMN2 (0.41) GPR84FFAR1FFAR4LMNAALDH1A1
SCHEMBL345435 0.77
SCHEMBL686906 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192229-A Bisphosphonic acid extractant for extracting scandium as well as preparation method and application thereof 济南大学 2024-12-27 CN disclosed