SCHEMBL13062898

SCHEMBL13062898

CC1(C)C[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 1/20 0.61
ADRA2A P08913 1/20 0.61
CNR1 P21554 1/20 0.61
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
FKBP1A P62942 3/20 0.52
MMP1 P03956 2/20 0.50
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
CCR8 P51685 1/20 0.48
CETP P11597 1/20 0.46
FFAR4 Q5NUL3 5/20 0.46
FFAR1 O14842 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10918929 0.84 MMP1 (0.48) TDP1LMNAADRA2ACNR1ATM
SCHEMBL396585 0.84 TDP1 (0.64) TDP1LMNAADRA2ACNR1ATM
SCHEMBL21820776 0.84 TDP1 (0.74) TDP1LMNAADRA2ACNR1ATM
SCHEMBL21132037 0.82 TDP1 (0.71) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11794251 0.82 TDP1 (0.71) TDP1LMNAADRA2ACNR1ATM
SCHEMBL2127178 0.81 TDP1 (0.67) TDP1LMNAADRA2ACNR1ATM
SCHEMBL5330578 0.81 CCR8 (0.61) TDP1LMNAADRA2ACNR1ATM
SCHEMBL6439660 0.81 TDP1 (0.70) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11314750 0.80 TDP1 (0.72) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11146789 0.79 TDP1 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-215220336-U Environment-friendly ant-proof, rat-proof and fire-resistant computer cable 江苏巨量光电科技有限公司 2021-12-17 CN disclosed
US-7858334-B2 Degradation of hydrophobic ester pesticides and toxins COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-12-28 US disclosed
US-20090269833-A1 DEGRADATION OF HYDROPHOBIC ESTER PESTICIDES AND TOXINS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-10-29 US disclosed