SCHEMBL9549453

SCHEMBL9549453

COC(=O)c1c[nH]cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
POLB P06746 2/20 0.46
GAA P10253 5/20 0.44
HSD17B10 Q99714 5/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
NR4A2 P43354 5/20 0.42
CREBBP Q92793 1/20 0.42
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CFTR P13569 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL69740 0.84 NR4A2 (0.48) KDM4EPOLBGAAHSD17B10TSHR
SCHEMBL5154077 0.80 NOTUM (0.52) KDM4EHSD17B10MAPTALDH1A1KMT2A
SCHEMBL3563589 0.77 MAPT (0.55) KDM4EPOLBGAAHSD17B10TSHR
SCHEMBL261551 0.76 NOTUM (0.52) KDM4EPOLBGAAHSD17B10TSHR
SCHEMBL1155989 0.76 NOTUM (0.58) KDM4EPOLBGAAHSD17B10TSHR
SCHEMBL30859597 0.75 KDM4E (0.47) KDM4EPOLBGAAHSD17B10MAPT
SCHEMBL7378524 0.75 KDM4E (0.73) KDM4EPOLBGAAHSD17B10TSHR
SCHEMBL6582728 0.75 KDM4E (0.67) KDM4EPOLBGAAHSD17B10MAPT
SCHEMBL21367044 0.74 NR4A2 (0.45) KDM4EPOLBGAAHSD17B10TSHR
SCHEMBL721113 0.72

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
JP-5194382-A None JP disclosed
JP-H05194382-A NEW PYRROLE COMPOUND, ITS PRODUCTION AND ITS POLYMER NIPPON SODA CO LTD 1993-08-03 JP disclosed