SCHEMBL29426615

SCHEMBL29426615

CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.65
▸ ITGB2 P05107 1/20 0.55
▸ ICAM1 P05362 1/20 0.55
▸ ITGAL P20701 1/20 0.55
▸ ACE P12821 2/20 0.52
▸ ECE1 P42892 1/20 0.51
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL30051294 1.00 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606451 0.97 GHSR (0.69) GHSRITGB2ICAM1ITGALACE
SCHEMBL30051497 0.92 GHSR (0.62) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606521 0.91 GHSR (0.68) GHSRITGB2ICAM1ITGALACE
SCHEMBL30053040 0.91 GHSR (0.64) GHSRITGB2ICAM1ITGALACE
SCHEMBL30223334 0.91 GHSR (0.57) GHSRITGB2ICAM1ITGALACE
SCHEMBL31018989 0.91 GHSR (0.58) GHSRITGB2ICAM1ITGALACE
SCHEMBL29533411 0.90 GHSR (0.65) GHSRITGB2ICAM1ITGALACE
SCHEMBL31606515 0.90 GHSR (0.66) GHSRITGB2ICAM1ITGALACE
SCHEMBL30051510 0.89 ACE (0.59) GHSRITGB2ICAM1ITGALACE

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-4217007-A1 PEPTIDIC CONJUGATES OF SN38 USEFUL IN THE TREATMENT OF CANCER Fundació Institut de Recerca Biomèdica (IRB Barcelona) (ES) 2023-08-02 — — EP disclosed
WO-2022064052-A1 PEPTIDIC CONJUGATES OF SN38 USEFUL IN THE TREATMENT OF CANCER FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-31 — — WO disclosed
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