SCHEMBL10780245

SCHEMBL10780245

C#CCN(CCCCCCCC)C(=O)I

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA2 P00918 1/20 0.40
MGLL Q99685 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
DNM1 Q05193 1/20 0.34

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
SCHEMBL10778058 1.00 ZDHHC20 (0.44) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL27424833 0.81 ZDHHC20 (0.41) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL9387747 0.81 ZDHHC20 (0.41) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL537444 0.76 CA12 (0.45) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL9390880 0.74 CA12 (0.44) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL5467158 0.74 CA12 (0.40) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL30156804 0.70 DNM1 (0.44) DNM1
SCHEMBL8519897 0.70 DNM1 (0.44) DNM1
SCHEMBL30692301 0.70 DNM1 (0.44) DNM1
SCHEMBL16965227 0.70 DNM1 (0.44) DNM1

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
US-4661632-A Halogenopropargylformamide pesticides BAYER AKTIENGESELLSCHAFT (DE) 1987-04-28 US disclosed