SCHEMBL28069880

SCHEMBL28069880

CCC(=O)Nc1cc(C)cc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
MEN1 O00255 8/20 0.57
POLB P06746 3/20 0.57
TPMT P51580 1/20 0.53
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HCAR1 Q9BXC0 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 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
SCHEMBL29141123 0.89 KMT2A (0.56) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL12240557 0.85 CYP3A4 (0.59) KMT2APOLBALDH1A1L3MBTL1TDP1
SCHEMBL18778626 0.85 MEN1 (0.56) KMT2AMEN1POLBTPMTALDH1A1
SCHEMBL24914750 0.83 TPMT (0.50) KMT2AMEN1POLBTPMTALDH1A1
SCHEMBL16397173 0.83 GAA (0.58) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL10148977 0.80 TPMT (0.59) KMT2AMEN1POLBTPMTALDH1A1
SCHEMBL26997457 0.79 KMT2A (0.50) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL15587825 0.77 ALDH1A1 (0.51) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL3090260 0.77 POLB (0.67) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL10964661 0.76 L3MBTL1 (0.77) KMT2AMEN1POLBALDH1A1L3MBTL1

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
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed