SCHEMBL13689804

SCHEMBL13689804

C=C(C)c1cc(NC(=O)Oc2ccccc2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.61
▸ MAPT P10636 7/20 0.61
▸ POLB P06746 2/20 0.61
▸ KDM4E B2RXH2 4/20 0.58
▸ CYP1A2 P05177 1/20 0.56
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ THRB P10828 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ RAD51 Q06609 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL13602316 0.89 ALDH1A1 (0.64) ALDH1A1MAPTPOLBKDM4ECYP1A2
SCHEMBL5391256 0.85 MEN1 (0.69) ALDH1A1MAPTPOLBKDM4ECYP1A2
SCHEMBL11175842 0.82 POLB (0.72) ALDH1A1MAPTPOLBKDM4ECYP1A2
SCHEMBL30063430 0.82 POLB (0.72) ALDH1A1MAPTPOLBKDM4ECYP1A2
SCHEMBL2490151 0.81 POLB (0.67) ALDH1A1MAPTPOLBKDM4ECYP1A2
SCHEMBL29739503 0.81 POLB (0.67) ALDH1A1MAPTPOLBKDM4ECYP1A2
SCHEMBL7088771 0.80 GAA (0.62) ALDH1A1MAPTPOLBKDM4ECYP1A2
SCHEMBL13690001 0.78 KMT2A (0.52) ALDH1A1MAPTPOLBCYP1A2MEN1
SCHEMBL11131058 0.78 POLB (0.63) ALDH1A1MAPTPOLBKDM4ECYP1A2
SCHEMBL61187 0.78 POLB (0.71) ALDH1A1MAPTPOLBKDM4ECYP1A2

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-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 — — US disclosed
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