SCHEMBL9101460

SCHEMBL9101460

CCC(C)C(O)Cc1cc(OC)c(Cl)cc1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6118398 0.77 GAA (0.46) GAA
SCHEMBL6118180 0.75 MEN1 (0.34) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4324973 0.73 KDM4E (0.68) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL6117825 0.72 KDM4E (0.54) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL9103819 0.71 LMNA (0.42) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL9105339 0.69 KMT2A (0.45) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL9105929 0.68 MAPK1 (0.50) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL26816572 0.67 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL16200096 0.66 MRGPRX4 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL16200085 0.65 TAAR1 (0.50) ALDH1A1NPSR1MAPTKDM4ESMN1; SMN2

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
EP-2669271-A1 INDOLE DERIVATIVE, AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2013-12-04 EP disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 EP disclosed