SCHEMBL4728803

SCHEMBL4728803

Cc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HSD17B10 Q99714 2/20 0.60
RECQL P46063 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
APEX1 P27695 1/20 0.56
POLB P06746 4/20 0.55
TSHR P16473 1/20 0.54
KMT2A Q03164 2/20 0.54
PDCD1 Q15116 2/20 0.54
CD274 Q9NZQ7 2/20 0.54
MEN1 O00255 1/20 0.52
CA1 P00915 2/20 0.51
CA9 Q16790 2/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 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
SCHEMBL5010574 0.89 ALDH1A1 (0.70) ALDH1A1HSD17B10RECQLNPSR1HPGD
SCHEMBL14494978 0.85 APEX1 (0.55) ALDH1A1HSD17B10RECQLNPSR1APEX1
SCHEMBL1250706 0.84 ANPEP (0.66) ALDH1A1HSD17B10RECQLNPSR1HPGD
SCHEMBL10518628 0.84 NPSR1 (0.67) ALDH1A1HSD17B10RECQLNPSR1HPGD
SCHEMBL30758617 0.78 KMT2A (0.62) ALDH1A1TDP1POLBKMT2AMEN1
SCHEMBL29168855 0.78 KMT2A (0.62) ALDH1A1TDP1POLBKMT2AMEN1
SCHEMBL4230873 0.78 APEX1 (0.86) ALDH1A1HSD17B10RECQLNPSR1HPGD
SCHEMBL8066752 0.78 ALDH1A1 (0.72) ALDH1A1HSD17B10RECQLNPSR1HPGD
SCHEMBL17946428 0.78 APEX1 (0.68) ALDH1A1HSD17B10RECQLNPSR1HPGD
SCHEMBL8851298 0.78 APEX1 (0.67) ALDH1A1HSD17B10RECQLNPSR1HPGD

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
WO-2008029168-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed