SCHEMBL28162201

SCHEMBL28162201

CC(C)C(C)(CO)CCCCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
DNM1 Q05193 9/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL28162199 1.00 FDPS (0.36) FDPSDNM1CA12CA1CA2
SCHEMBL11090684 0.89 FFAR1 (0.32)
SCHEMBL11090499 0.89 FFAR1 (0.32)
SCHEMBL11083812 0.89 FFAR1 (0.32)
SCHEMBL14451882 0.80 DNM1 (0.35) FDPSDNM1CA12CA1CA2
SCHEMBL18124692 0.77 SMN1; SMN2 (0.38) FDPSTSHRLMNAMEN1KMT2A
SCHEMBL18124683 0.77 SMN1; SMN2 (0.38) FDPSTSHRLMNAMEN1KMT2A
SCHEMBL18124708 0.75 ALDH1A1 (0.35) FDPSTSHRLMNAMEN1KMT2A
SCHEMBL18920432 0.75 DNM1 (0.40) FDPSDNM1CA12CA1CA2
SCHEMBL6465002 0.75 DNM1 (0.40) FDPSDNM1CA12CA1CA2

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-104837818-B It can be used as the acid amides of pyridine 2 of CB2 activators 霍夫曼-拉罗奇有限公司 2017-07-14 CN disclosed