SCHEMBL9545104

SCHEMBL9545104

CCOC(=O)CCCn1cc(C(=O)c2ccc(OC(COC)c3ccc(CC(C)C)cc3)cc2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.66
SRD5A2 P31213 5/20 0.66
CNR1 P21554 5/20 0.51
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CREBBP Q92793 1/20 0.44
CNR2 P34972 2/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9543375 0.94 SRD5A1 (0.65) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9543789 0.94 SRD5A1 (0.66) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9543756 0.94 SRD5A1 (0.66) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9543719 0.94 SRD5A1 (0.66) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL8793566 0.93 SRD5A1 (0.69) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9335702 0.92 SRD5A1 (0.67) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9441145 0.92 SRD5A1 (0.67) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9545091 0.91 SRD5A1 (0.65) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9337367 0.91 SRD5A1 (0.66) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9543258 0.91 SRD5A1 (0.80) SRD5A1SRD5A2CNR1CNR2

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
WO-1993016996-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-02 WO disclosed