SCHEMBL11035528

SCHEMBL11035528

CCCCN(CC[CH]O)CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
KDM5A P29375 4/20 0.36
PHF8 Q9UPP1 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ALDH2 P05091 1/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
MAPT P10636 1/20 0.32
KCNH2 Q12809 3/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 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
Formic Acid SCHEMBL9721362 0.82 CA12 (0.44) CA12CA1CA9KDM5APHF8
Formic Acid SCHEMBL2368233 0.79 CA12 (0.46) CA12CA1CA9KDM5APHF8
Hydrogen Peroxide SCHEMBL137833 0.78 KDM5A (0.48) CA12CA1CA9KDM5APHF8
Methyl Alcohol SCHEMBL3078253 0.78 CA12 (0.48) CA12CA1CA9KDM5APHF8
Hydrogen Peroxide SCHEMBL137835 0.78 KDM5A (0.48) CA12CA1CA9KDM5APHF8
SCHEMBL3904839 0.78 TSHR (0.46) CA12CA1CA9KDM5APHF8
SCHEMBL27566038 0.78 TSHR (0.46) CA12CA1CA9KDM5APHF8
SCHEMBL896 0.78 TSHR (0.46) CA12CA1CA9KDM5APHF8
SCHEMBL28809066 0.75 CA12 (0.46) CA12CA1CA9KDM5APHF8
Alcohol SCHEMBL2290514 0.75 CA12 (0.46) CA12CA1CA9KDM5APHF8

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-4475943-A Herbicidal α-hydroxy phosphonates MONSANTO COMPANY (US) 1984-10-09 US disclosed
US-4413125-A α-Hydroxy phosphonates MONSANTO COMPANY (US) 1983-11-01 US disclosed