SCHEMBL9217751

SCHEMBL9217751

CC(=O)OC(Cc1c[nH]c2ccccc12)C(=O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
POLB P06746 3/20 0.60
APAF1 O14727 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HTR2A P28223 2/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2C P28335 1/20 0.55
HTR1E P28566 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55
HTR6 P50406 1/20 0.55
SLC6A3 Q01959 1/20 0.55

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
SCHEMBL9222360 0.90 KDM4E (0.59) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL8999204 0.88 KDM4E (0.66) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL27094892 0.82 KDM4E (0.62) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL421970 0.82 HTR2A (0.59) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL8999421 0.80 EGFR (0.64) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL16433055 0.80 SMN1; SMN2 (0.73) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL26633371 0.80 KDM4E (0.56) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL22607730 0.79 KDM4E (0.56) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL25177725 0.79 KDM4E (0.54) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL10240596 0.79 KDM4E (0.74) KDM4EMAPTPOLBAPAF1RECQL

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
WO-1995003695-A1 NOVEL FUNGICIDAL PROPERTIES OF METABOLITES, CULTURE BROTH, STILBENE DERIVATIVES AND INDOLE DERIVATIVES PRODUCED BY THE BACTERIA XENORHABDUS AND PHOTORHABDUS SPP. AGRO-BIOTECH CORPORATION (US) 1995-02-09 WO claimed
WO-1995003695-A1 NOVEL FUNGICIDAL PROPERTIES OF METABOLITES, CULTURE BROTH, STILBENE DERIVATIVES AND INDOLE DERIVATIVES PRODUCED BY THE BACTERIA XENORHABDUS AND PHOTORHABDUS SPP. AGRO-BIOTECH CORPORATION (US) 1995-02-09 WO disclosed
WO-1995003695-A1 NOVEL FUNGICIDAL PROPERTIES OF METABOLITES, CULTURE BROTH, STILBENE DERIVATIVES AND INDOLE DERIVATIVES PRODUCED BY THE BACTERIA XENORHABDUS AND PHOTORHABDUS SPP. AGRO-BIOTECH CORPORATION (US) 1995-02-09 WO disclosed