SCHEMBL11060072

SCHEMBL11060072

CCOC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
CYP3A4 P08684 1/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
GAA P10253 2/20 0.55
GPR35 Q9HC97 2/20 0.55
EPHX1 P07099 1/20 0.54
EPHX2 P34913 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
APEX1 P27695 1/20 0.51
CYP19A1 P11511 2/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL30890031 0.87 MAPT (0.64) MAPTALDH1A1GAAGPR35SMN1; SMN2
SCHEMBL11061164 0.87 MAPT (0.64) MAPTALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL3036107 0.87 MAPT (0.64) MAPTALDH1A1GAAGPR35SMN1; SMN2
SCHEMBL10411362 0.86 MAPT (0.56) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL14455041 0.84 MAPT (0.54) MAPTALDH1A1HPGDKMT2AGAA
SCHEMBL9659046 0.84 KMT2A (0.70) MAPTCYP3A4ALDH1A1HPGDKMT2A
SCHEMBL9364832 0.84 GPR35 (0.60) MAPTALDH1A1GAAGPR35SMN1; SMN2
SCHEMBL11064419 0.83 GAA (0.62) MAPTCYP3A4KMT2AGAAEPHX1
SCHEMBL9364621 0.83 ALDH1A1 (0.56) MAPTALDH1A1HPGDKMT2AGAA
SCHEMBL9365321 0.83 KDR (0.61) MAPTALDH1A1KMT2AGAAGPR35

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-4483707-A PLANT SAFTENING AGENTS CIBA-GEIGY CORPORATION (US) 1984-11-20 US disclosed