SCHEMBL7916370

SCHEMBL7916370

COP(=O)(CC1CCCCC1)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.33
METAP1 P53582 1/20 0.33
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EPHX1 P07099 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
SCHEMBL7918420 0.83 CYP1A2 (0.42) CYP1A2HPGD
SCHEMBL7915201 0.82 CA12 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL7921422 0.80 ACHE (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL5670794 0.80 CA12 (0.41) CA12CA1CA2MMP1MMP2
SCHEMBL7918816 0.78 CYP1A2 (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL17039331 0.75 MMP1 (0.42) CA12CA1CA2MMP1MMP2
SCHEMBL10356358 0.73 CA12 (0.38) CA12CA1CA2MMP1MMP2
SCHEMBL17039329 0.72 MMP1 (0.40) MMP1MMP2TDP1NPSR1
SCHEMBL18311508 0.71 MMP1 (0.39) MMP1MMP2CYP1A2ACHE
SCHEMBL8732595 0.70 MMP2 (0.48) CA12CA1CA2MMP1MMP2

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-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed