SCHEMBL5772405

SCHEMBL5772405

c1ccc(COc2cccc3[nH]c(CC4CO4)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.54
RHEB Q15382 2/20 0.40
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 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
SCHEMBL4336315 0.85 SRD5A2 (0.56) SRD5A2RHEBCTSVCTSLMAPT
SCHEMBL5768529 0.79 SRD5A2 (0.61) SRD5A2RHEBCTSVCTSLMAPT
SCHEMBL5772099 0.79 SRD5A2 (0.65) SRD5A2RHEBCTSVCTSLMAPT
SCHEMBL27408299 0.77 SRD5A2 (0.62) SRD5A2RHEBCTSVCTSLMAPT
SCHEMBL476282 0.76 MTNR1A (0.47) SRD5A2RHEBMAPK1L3MBTL1
SCHEMBL11449804 0.74 ALDH1A1 (0.47) SRD5A2RHEBMAPTTDP1SLC6A4
SCHEMBL9539022 0.73 ALDH1A1 (0.49) SRD5A2RHEBMAPTTDP1SLC6A4
SCHEMBL11457360 0.73 RHEB (0.51) SRD5A2RHEBTDP1
SCHEMBL5770077 0.73 GRIN2D (0.39) RHEB
SCHEMBL12524872 0.73 SRD5A2 (0.64) SRD5A2CTSVCTSLMAPTMAPK1

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
EP-1509515-A4 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2006-07-05 EP disclosed
EP-1509515-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-02 EP disclosed
WO-2003097806-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO[2,3-H]CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 WO disclosed