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SCHEMBL299205

SCHEMBL299205

CC1(C)C(CC(Cl)(Cl)Cl)C1(Cc1cccc(Oc2ccccc2)c1)C(=O)O.Cc1cc(C(C)(C)C)c(OC(=O)C2C(CC(Cl)(Cl)Cl)C2(C)C)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FKBP1A P62942 2/20 0.32
▸ CCR8 P51685 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CETP P11597 1/20 0.30

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
SCHEMBL5854336 0.82 TDP1 (0.43) TDP1LMNAADRA2ACNR1ATM
SCHEMBL294979 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL294606 0.74 TDP1 (0.67) TDP1LMNAADRA2ACNR1ATM
SCHEMBL299070 0.73 TDP1 (0.46) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10976834 0.71 TDP1 (0.64) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10972736 0.71 TDP1 (0.64) TDP1LMNAADRA2ACNR1ATM
SCHEMBL6413648 0.71 MRGPRX4 (0.36) —
SCHEMBL6866513 0.68 PTGES (0.45) TDP1LMNAADRA2ACNR1ATM
SCHEMBL11237046 0.68 TDP1 (0.60) TDP1LMNAADRA2ACNR1ATM
SCHEMBL10973029 0.68 TDP1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1683783-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 — — EP disclosed