SCHEMBL4375040

SCHEMBL4375040

C(=C(c1ccccc1)C(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
AKR1C1 Q04828 1/20 0.44
PRMT1 Q99873 1/20 0.40
ESR1 P03372 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP11B2 P19099 2/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL6227960 0.82 LMNA (0.48) L3MBTL1TDP1AKR1C1PRMT1ESR1
SCHEMBL4632474 0.82 LMNA (0.48) L3MBTL1TDP1AKR1C1PRMT1ESR1
SCHEMBL8768148 0.78 TDP1 (0.50) L3MBTL1TDP1ALDH1A1LMNAMAPT
SCHEMBL8528509 0.78 AKR1C1 (0.47) AKR1C1PRMT1ESR1CYP19A1CYP11B2
SCHEMBL2835097 0.77 AKR1C1 (0.45) L3MBTL1AKR1C1PRMT1ESR1CYP19A1
SCHEMBL146717 0.77 AKR1C1 (0.45) AKR1C1PRMT1ESR1CYP19A1CYP11B2
SCHEMBL5960470 0.77 AKR1C1 (0.45) L3MBTL1AKR1C1PRMT1ESR1CYP19A1
SCHEMBL10711205 0.77 AKR1C1 (0.45) AKR1C1PRMT1ESR1CYP19A1CYP11B2
SCHEMBL28860739 0.76 SRC (0.55) TDP1AKR1C1PRMT1ALDH1A1LMNA
SCHEMBL10910203 0.73 AKR1C1 (0.52) L3MBTL1TDP1AKR1C1ALDH1A1LMNA

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-2119457-B1 Method of producing a hyperpolarised contrast agent GE HEALTHCARE AS (NO) 2012-10-03 EP disclosed
EP-2119457-A1 Method of magnetic resonance investigation with hyperpolarised contrast agents GE Healthcare AS (NO) 2009-11-18 EP disclosed