SCHEMBL8522940

SCHEMBL8522940

C=CCc1[nH]c2ccccc2c1CC(NC(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
SRC P12931 1/20 0.50
ALOX15 P16050 1/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC1 Q13547 1/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
ACE P12821 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TACR1 P25103 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
SCHEMBL8711960 0.81 MAPT (0.56) EGFRSRCALOX15MTNR1AMTNR1B
SCHEMBL7114553 0.80 KDM4E (0.48) EGFRSRCMEN1KMT2ATSHR
SCHEMBL7114556 0.80 KDM4E (0.48) EGFRSRCMEN1KMT2ATSHR
SCHEMBL8097842 0.80 KDM4E (0.48) EGFRSRCMEN1KMT2ATSHR
SCHEMBL29138493 0.79 MTNR1A (0.54) EGFRSRCALOX15MTNR1AMTNR1B
SCHEMBL29138501 0.78 MTNR1A (0.50) EGFRSRCALOX15MTNR1AMTNR1B
SCHEMBL29138488 0.78 EGFR (0.47) EGFRSRCALOX15MTNR1AMTNR1B
SCHEMBL29138503 0.78 MTNR1A (0.50) EGFRSRCALOX15MTNR1AMTNR1B
SCHEMBL29138511 0.78 MTNR1A (0.52) EGFRSRCALOX15MTNR1AMTNR1B
SCHEMBL22189187 0.77 EGFR (0.52) EGFRSRCALOX15MTNR1AMTNR1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955421-A OXIDATION RESISTANCE; ENHANCING GROWTH HORMONE RELEASE MEDIOLANUM PHARMACEUTICALS LIMITED (IE) 1999-09-21 US disclosed
US-5872100-A Peptides containing D-2-Alkyl-Tryptophan ARDANA BIOSCIENCE LIMITED (GB) 1999-02-16 US disclosed
US-5668254-A BIOACTIVE, OXIDATION RESISTANCE Deghenghi, Romano (CH) 1997-09-16 US disclosed
US-5646301-A INCORPORATION INTO PEPTIDES Deghenghi, Romano (CH) 1997-07-08 US disclosed
US-5635379-A PREPARED FROM N-ALPHA-ACETYL-2-ALKYL TRYPTOPHAN RACEMIC MIXTURE Deghenghi, Romano (CH) 1997-06-03 US disclosed