SCHEMBL6562273

SCHEMBL6562273

Cc1ccc(C(=O)c2cccc([C]=O)c2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.42
SRD5A2 P31213 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 1/20 0.40
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL7673359 0.83 AKR1C3 (0.61) AKR1C3ALDH1A1NPSR1MAPTTDP1
SCHEMBL9712470 0.80 AKR1C3 (0.53) AKR1C3ALDH1A1MAPTHTTTDP1
SCHEMBL2784914 0.80 AKR1C3 (0.61) AKR1C3ALDH1A1NPSR1MAPTHTT
SCHEMBL11522092 0.79 CDC25B (0.49) AKR1C3ALDH1A1MAPTTDP1CDC25B
SCHEMBL9712528 0.78 AKR1C3 (0.50) AKR1C3ALDH1A1NPSR1MAPTHTT
SCHEMBL7559439 0.76 AKR1C3 (0.46) AKR1C3ALDH1A1NPSR1MAPTTDP1
SCHEMBL2408127 0.75 HNF4A (0.40) ALDH1A1MAPTHTTTDP1SMN1; SMN2
SCHEMBL9249733 0.75 AKR1C3 (0.48) AKR1C3ALDH1A1NPSR1MAPTTDP1
SCHEMBL8523127 0.75 HNF4A (0.60) AKR1C3ALDH1A1NPSR1MAPTHTT
SCHEMBL934810 0.74 AKR1C3 (0.59) AKR1C3ALDH1A1NPSR1MAPTTDP1

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-1397347-A2 PREPARATION OF 17-PHENYL- 18, 19, 20- TRINOR-PGF2A AND ITS DERIVATIVES Finetech Laboratories Ltd. (IL) 2004-03-17 EP disclosed
WO-2002096868-A2 PREPARATION OF 17-PHENYL- 18, 19, 20- TRINOR-PGF2A AND ITS DERIVATIVES FINETECH LABORATORIES LTD. (IL) 2002-12-05 WO disclosed