SCHEMBL31111394

SCHEMBL31111394

CCc1cc(OCCCCN=[N+]=[N-])ccc1-c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
PTPN11 Q06124 2/20 0.42
SRD5A2 P31213 1/20 0.40
TPH1 P17752 7/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PTPN1 P18031 2/20 0.38
PPARD Q03181 2/20 0.37
P2RY10 O00398 1/20 0.36

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
Hydrochloric Acid SCHEMBL25310774 0.99 ITGB3 (0.47) ITGB3ITGA2BPTPN11SRD5A2TPH1
Hydrochloric Acid SCHEMBL25310769 0.99 ITGB3 (0.47) ITGB3ITGA2BPTPN11SRD5A2TPH1
SCHEMBL30520789 0.85 FFAR1 (0.49) PTPN11PPARG
SCHEMBL26262105 0.84 PTPN11 (0.43) PTPN11SRD5A2
SCHEMBL1999882 0.82 SRD5A2 (0.51) ITGB3ITGA2BSRD5A2TPH1PPARG
SCHEMBL25260484 0.82 ITGB3 (0.54) ITGB3ITGA2BPTPN1
SCHEMBL25311934 0.82 ITGB3 (0.54) ITGB3ITGA2BPTPN1
SCHEMBL26263800 0.81 ABCG2 (0.39) PTPN11SRD5A2PPARGPPARAPPARD
SCHEMBL31111350 0.81 PTPN11 (0.39) ITGB3ITGA2BPTPN11SRD5A2PTPN1
SCHEMBL26284279 0.80 ITGB1 (0.36) PTPN11PTPN1

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-4673424-A1 LIQUID PHASE PEPTIDE SUPPORT SYNTHESIS OF PEPTIDES AND PEPTIDOMIMETICS Regeneron Pharmaceuticals, Inc. (US) 2026-01-07 EP disclosed
WO-2024182268-A1 LIQUID PHASE PEPTIDE SUPPORT SYNTHESIS OF PEPTIDES AND PEPTIDOMIMETICS REGENERON PHARMACEUTICALS, INC. (US) 2024-09-06 WO disclosed