SCHEMBL21598075

SCHEMBL21598075

CNC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
MME P08473 5/20 0.51
ACE P12821 5/20 0.51
CPA1 P15085 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.49
PPARG P37231 2/20 0.46
SLC7A5 Q01650 1/20 0.46
MMP1 P03956 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.45
LDHA P00338 1/20 0.45

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
SCHEMBL21598076 1.00 FOLH1 (0.52) FOLH1MMEACECPA1ACE2
SCHEMBL152798 0.91 FOLH1 (0.60) FOLH1MMEACECPA1ACE2
SCHEMBL161943 0.91 FOLH1 (0.60) FOLH1MMEACECPA1ACE2
SCHEMBL160418 0.91 FOLH1 (0.60) FOLH1MMEACECPA1ACE2
SCHEMBL12379290 0.89 MME (0.61) MMEACECPA1ACE2PPARG
Hydrochloric Acid SCHEMBL2523741 0.89 FOLH1 (0.59) FOLH1MMEACECPA1ACE2
Hydrochloric Acid SCHEMBL5052199 0.89 FOLH1 (0.59) FOLH1MMEACECPA1ACE2
Hydrochloric Acid SCHEMBL17666593 0.89 FOLH1 (0.59) FOLH1MMEACECPA1ACE2
Water SCHEMBL27589726 0.89 FOLH1 (0.59) FOLH1MMEACECPA1ACE2
Hydrochloric Acid SCHEMBL15105483 0.89 FOLH1 (0.59) FOLH1MMEACECPA1ACE2

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
EP-3810169-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NECTIN-4 BicycleTX Limited (GB) 2021-04-28 EP claimed
CN-112601539-A Bicyclic peptide ligands specific for bindin-4 拜斯科技术开发有限公司 2021-04-02 CN claimed
WO-2019243832-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NECTIN-4 BICYCLETX LIMITED (GB) 2019-12-26 WO claimed
EP-4588934-A2 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NECTIN-4 BicycleTX Limited (GB) 2025-07-23 EP disclosed
EP-4464715-A2 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NECTIN-4 BicycleTx Limited (GB) 2024-11-20 EP disclosed