SCHEMBL8129495

SCHEMBL8129495

COc1ccc(C(=O)OCc2ccccc2)cc1NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 14/20 0.61
ERAP2 Q6P179 7/20 0.53
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
ERAP1 Q9NZ08 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL8134581 0.87 LNPEP (0.60) LNPEPERAP2RAB9AALDH1A1ERAP1
SCHEMBL8135399 0.86 LNPEP (0.58) LNPEPERAP2RAB9ANPSR1ALDH1A1
SCHEMBL8138188 0.85 LNPEP (0.57) LNPEPERAP2RAB9AALDH1A1ROCK2
SCHEMBL8129497 0.83 ALDH1A1 (0.53) LNPEPRAB9APOLBNPSR1ALDH1A1
SCHEMBL28277699 0.82 ALDH1A1 (0.68) LNPEPRAB9APOLBNPSR1ALDH1A1
SCHEMBL28277702 0.82 ALDH1A1 (0.68) LNPEPRAB9APOLBNPSR1ALDH1A1
SCHEMBL16993931 0.80 TSHR (0.55) RAB9AALDH1A1ROCK2ROCK1
SCHEMBL30452554 0.80 TSHR (0.55) RAB9AALDH1A1ROCK2ROCK1
SCHEMBL8129491 0.80 KMT2A (0.62) RAB9APOLBALDH1A1HDAC1HDAC8
SCHEMBL8130237 0.79 RAB9A (0.70) LNPEPRAB9AALDH1A1HDAC8MAPK1

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-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 WO disclosed