SCHEMBL9844599

SCHEMBL9844599

CCOC(=O)CCCn1cc(C(=O)c2cccc(NC(C(=O)Nc3ccccc3)c3ccc(CC(C)C)cc3)c2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.68
SRD5A2 P31213 5/20 0.68
CNR1 P21554 5/20 0.50
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CNR2 P34972 1/20 0.44
CREBBP Q92793 1/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 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
SCHEMBL9334494 0.99 SRD5A1 (0.66) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9337850 0.94 SRD5A1 (0.71) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9335631 0.92 SRD5A1 (0.64) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9335718 0.92 SRD5A1 (0.68) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9335715 0.91 SRD5A1 (0.81) SRD5A1SRD5A2CNR1POLBCNR2
SCHEMBL9337428 0.91 SRD5A1 (0.80) SRD5A1SRD5A2CNR1POLBCNR2
SCHEMBL8794320 0.90 SRD5A1 (0.81) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9334541 0.90 SRD5A1 (0.65) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9337695 0.89 SRD5A1 (0.62) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9337667 0.88 SRD5A1 (0.72) SRD5A1SRD5A2CNR1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed