SCHEMBL4728824

SCHEMBL4728824

CC1CCc2[nH]c3ccc(C(=O)O)cc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
MEN1 O00255 2/20 0.76
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
RAB9A P51151 1/20 0.61
HTR1B P28222 3/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTR1A P08908 2/20 0.57
HTR1D P28221 1/20 0.57
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
HTR1E P28566 1/20 0.53
HTR7 P34969 1/20 0.53

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
SCHEMBL18309830 0.88 KMT2A (0.79) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL4725750 0.86 KMT2A (1.00) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL7030069 0.84 HTR1B (0.80) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL6950544 0.84 KMT2A (0.72) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL14041628 0.82 KMT2A (0.70) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL2016322 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL2016008 0.79 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL11576749 0.79 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL4728400 0.79 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL23657201 0.78 KMT2A (0.64) KMT2AMEN1ALDH1A1LMNARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
WO-2006012310-A2 CARBAZOLE DERIVATIVES FOR TREATING POLYCYSTIC KIDNEY DISEASE GENZYME CORPORATION (US) 2006-02-02 WO disclosed