SCHEMBL6048301

SCHEMBL6048301

C=C(C)C1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.69
LMNA P02545 1/20 0.66
ADRA2A P08913 1/20 0.66
CNR1 P21554 1/20 0.66
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
FKBP1A P62942 3/20 0.46
MMP1 P03956 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
CETP P11597 1/20 0.43
FFAR1 O14842 6/20 0.43
FFAR4 Q5NUL3 2/20 0.43
CCR8 P51685 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL21820776 0.93 TDP1 (0.74) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11314750 0.91 TDP1 (0.72) TDP1LMNAADRA2ACNR1ATM
SCHEMBL6439660 0.89 TDP1 (0.70) TDP1LMNAADRA2ACNR1ATM
SCHEMBL2112591 0.87 TDP1 (0.74) TDP1LMNAADRA2ACNR1ATM
SCHEMBL21100581 0.86 TDP1 (0.70) TDP1LMNAADRA2ACNR1ATM
SCHEMBL21100582 0.86 TDP1 (0.70) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11217669 0.86 TDP1 (0.70) TDP1LMNAADRA2ACNR1ATM
SCHEMBL21132037 0.85 TDP1 (0.71) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11794251 0.85 TDP1 (0.71) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11009788 0.85 TDP1 (0.71) TDP1LMNAADRA2ACNR1ATM

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
EP-1681282-B1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE SUMITOMO CHEMICAL CO (JP) 2013-01-23 EP disclosed
EP-1681282-A1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE Sumitomo Chemical Company, Limited (JP) 2006-07-19 EP disclosed