SCHEMBL9337553

SCHEMBL9337553

CCOC(=O)CCCn1cc(C(=O)c2cccc(CNc3cccc(CC(C)C)c3)c2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.57
SRD5A2 P31213 5/20 0.57
CNR1 P21554 5/20 0.55
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR2 P34972 1/20 0.46
CREBBP Q92793 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9337423 0.94 SRD5A1 (0.59) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL8793533 0.93 SRD5A1 (0.64) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9334540 0.90 SRD5A1 (0.70) SRD5A1SRD5A2CNR1POLBCNR2
SCHEMBL8792355 0.86 SRD5A1 (0.63) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9337499 0.85 CNR1 (0.56) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL27303921 0.84 CNR1 (0.56) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL8794320 0.84 SRD5A1 (0.81) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9334471 0.83 SRD5A1 (0.56) SRD5A1SRD5A2CNR1POLBL3MBTL1
SCHEMBL9334460 0.83 SRD5A1 (0.72) SRD5A1SRD5A2CNR1CNR2CYP19A1
SCHEMBL8794032 0.83 SRD5A1 (0.59) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed