SCHEMBL5768535

SCHEMBL5768535

OCc1cc2c(O)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 12/20 0.51
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
IDO1 P14902 1/20 0.40
DAO P14920 3/20 0.40
DDO Q99489 3/20 0.40
HRH4 Q9H3N8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5769848 0.83 DAO (0.50) RHEBIMPDH2IMPDH1IDO1DAO
SCHEMBL28352953 0.83 IMPDH2 (0.43) RHEBIMPDH2IMPDH1IDO1DAO
SCHEMBL8088130 0.80 CTSV (0.44) IMPDH2IMPDH1IDO1DAODDO
SCHEMBL30120739 0.80 HTR2C (0.45) IMPDH2IMPDH1IDO1DAODDO
SCHEMBL23706115 0.79 RHEB (0.55) RHEBHRH4
SCHEMBL4561870 0.79 RHEB (0.57) RHEBDAOHRH4
SCHEMBL11719429 0.79 DAO (0.53) RHEBDAODDOALDH1A1
SCHEMBL30096998 0.79 RHEB (0.55) RHEBHRH4
SCHEMBL9534359 0.79 KDM4E (0.46) IMPDH2IMPDH1IDO1DAODDO
SCHEMBL9587971 0.79 ASH1L (0.44) RHEBIMPDH2IMPDH1IDO1DAO

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