SCHEMBL29622702

SCHEMBL29622702

Nc1cc(C[C@@H](N)C(=O)O)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.75
USP2 O75604 3/20 0.75
PTGS1 P23219 2/20 0.75
KDM4E B2RXH2 2/20 0.75
ALOX15 P16050 2/20 0.75
RECQL P46063 2/20 0.75
HIF1A Q16665 2/20 0.75
HSD17B10 Q99714 2/20 0.75
TDP1 Q9NUW8 2/20 0.75
EGFR P00533 1/20 0.75
LCK P06239 1/20 0.75
FYN P06241 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
HTR2A P28223 1/20 0.75
PTGS2 P35354 1/20 0.75
GRIA2 P42262 1/20 0.56
PKM P14618 3/20 0.55
ALPI P09923 1/20 0.55
XIAP P98170 1/20 0.55
THRB P10828 5/20 0.50

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
SCHEMBL29405664 1.00 SLC7A5 (0.75) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL180009 1.00 SLC7A5 (0.75) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL16826246 1.00 SLC7A5 (0.75) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL180010 1.00 SLC7A5 (0.75) SLC7A5USP2PTGS1KDM4EALOX15
Hydrochloric Acid SCHEMBL7872034 0.98 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
Hydrochloric Acid SCHEMBL304140 0.98 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
Water SCHEMBL7731937 0.98 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
Hydrochloric Acid SCHEMBL5108518 0.97 SLC7A5 (0.71) SLC7A5USP2PTGS1KDM4EALOX15
Water SCHEMBL16816917 0.95 SLC7A5 (0.69) SLC7A5USP2PTGS1KDM4EALOX15
Tyrosine SCHEMBL18301523 0.94 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058465-A1 CXCR4 ANTAGONIST PEPTIDES Cohbar Inc. (US) 2022-09-21 EP disclosed
EP-4013440-A1 THERAPEUTIC PEPTIDES Cohbar Inc. (US) 2022-06-22 EP disclosed