SCHEMBL7915207

SCHEMBL7915207

CCOP(=O)(O)CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.44
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
METAP1 P53582 1/20 0.37
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.33
SRC P12931 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL5670794 0.82 CA12 (0.41) MMP1MMP2CA12CA1CA2
SCHEMBL7456860 0.81 PPARD (0.41) PPARDMMP1MMP2TSHRTP53
SCHEMBL9449240 0.78 MMP1 (0.39) MMP1MMP2CA12CA1CA2
SCHEMBL4995518 0.78 MMP1 (0.40) PPARDMMP1MMP2CA12CA1
SCHEMBL17039331 0.77 MMP1 (0.42) MMP1MMP2CA12CA1CA2
SCHEMBL9462365 0.76 SIGMAR1 (0.34) PPARDMMP1MMP2CYP1A2
SCHEMBL4163826 0.75 PPARD (0.39) PPARDMMP1MMP2CA12CA1
SCHEMBL17039329 0.74 MMP1 (0.40) PPARDMMP1MMP2TSHRTP53
SCHEMBL778015 0.73 SRC (0.41) MMP1MMP2CA12CA1CA2
SCHEMBL18311508 0.73 MMP1 (0.39) MMP1MMP2TSHRCYP1A2

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-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed