SCHEMBL8466703

SCHEMBL8466703

Cc1[nH]c2ccccc2c1C[C@@H](N)C(=O)OC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HTT P42858 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ EGFR P00533 2/20 0.35
▸ SRC P12931 1/20 0.35
▸ KLK6 Q92876 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ FABP7 O15540 1/20 0.34

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
SCHEMBL30229529 0.77 MDM4 (0.51) CASP3
SCHEMBL18795729 0.77 MDM4 (0.51) CASP3
SCHEMBL27749256 0.77 MDM4 (0.51) CASP3
SCHEMBL850332 0.77 MDM4 (0.51) CASP3
SCHEMBL30229718 0.77 MDM4 (0.51) CASP3
SCHEMBL27312034 0.77 MAPT (0.54) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL5925150 0.77 MAPT (0.54) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL7811480 0.77 MAPT (0.54) ALDH1A1KDM4EMAPTGAACASP1
SCHEMBL5035599 0.76 KMT2A (0.40) ALDH1A1MAPTKMT2ACASP3FABP7
SCHEMBL3855559 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTGAACASP1

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
Send feedback