SCHEMBL11539489

SCHEMBL11539489

COc1cc(C(=O)C(O)Cl)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
RAB9A P51151 1/20 0.64
HTT P42858 1/20 0.62
HSD17B2 P37059 1/20 0.54
BLM P54132 2/20 0.53
CYP1A2 P05177 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL28052189 0.85 MEN1 (0.66) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL6835992 0.83 MEN1 (0.68) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL4545347 0.81 KMT2A (0.60) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL30393910 0.81 BLM (0.69) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL15004192 0.80 MEN1 (0.64) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL3853620 0.79 MEN1 (0.72) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL15814046 0.78 SLC22A6 (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL27833057 0.78 KDM4E (0.62) KDM4EPOLBHDAC6GAAMAPT
SCHEMBL15289000 0.78 MEN1 (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL29532454 0.78 MEN1 (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150042-A 6-Hydroxy-7-methoxy-5-benzofuran carboxaldehyde and 2,3-dihydro-7-methoxy-6-benzofuranol HOFFMANN-LA ROCHE INC. (US) 1979-04-17 US disclosed
US-4147703-A Process to produce 8-methoxypsoralen HOFFMANN-LA ROCHE INC. (US) 1979-04-03 US disclosed
EP-0000482-A1 Process for the preparation of 8-methoxypsorales and intermediates in this preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-02-07 EP disclosed
US-4107182-A 7-Oxo-9-methoxy-7H-furo[3,2-g][1]benzopyran-6-carboxylic acid HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed