SCHEMBL8005976

SCHEMBL8005976

COC(=O)c1cc(C(=O)O)cc(-c2cc(OC)ccc2OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
LMNA P02545 1/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7995380 0.85 CA1 (0.45) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL27539635 0.83 HPGD (0.50) POLBALDH1A1HPGDADORA3CA1
SCHEMBL29788029 0.81 ALDH1A1 (0.63) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL2039734 0.81 ALDH1A1 (0.63) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL4602802 0.80 HDAC4 (0.62) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL7995531 0.78 CA1 (0.50) MAPTKMT2AMEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL8004286 0.78 CYP2D6 (0.47) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL56890 0.77 KDM4E (0.55) POLBALDH1A1LMNACA1CA2
SCHEMBL2410383 0.77 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL3508583 0.76 POLB (0.55) MAPTKMT2AMEN1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017917-A Guanidine derivatives FUJISAWA PHARAMCEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0876338-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997025310-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-17 WO disclosed