SCHEMBL9752048

SCHEMBL9752048

NCCCC[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
ATM Q13315 1/20 0.57
RECQL P46063 1/20 0.55
RAB9A P51151 2/20 0.54
MEN1 O00255 3/20 0.53
PPARG P37231 2/20 0.53
NCOA2 Q15596 2/20 0.53
NCOA1 Q15788 2/20 0.53
NCOA3 Q9Y6Q9 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 2/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
POLB P06746 3/20 0.52
PTPN7 P35236 1/20 0.51
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
TDP1 Q9NUW8 2/20 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
SCHEMBL4600451 0.87 ALDH1A1 (0.54) RAB9AHTTITGB3ITGA2BALDH1A1
SCHEMBL4600461 0.87 ALDH1A1 (0.54) RAB9AHTTITGB3ITGA2BALDH1A1
SCHEMBL7649508 0.83 KMT2A (0.54) KMT2AATMRECQLRAB9AMEN1
SCHEMBL7651910 0.83 KMT2A (0.54) KMT2AATMRECQLRAB9AMEN1
SCHEMBL4599881 0.83 GPR34 (0.54) KMT2ARECQLMEN1ITGB3ITGA2B
SCHEMBL4600549 0.83 GPR34 (0.57) ITGB3ITGA2BLMNAALDH1A1
SCHEMBL4599289 0.83 FOLH1 (0.49) ITGB3ITGA2BALDH1A1
SCHEMBL4599884 0.83 GPR34 (0.54) KMT2ARECQLMEN1ITGB3ITGA2B
SCHEMBL4599294 0.83 FOLH1 (0.49) ITGB3ITGA2BALDH1A1
SCHEMBL4600543 0.83 GPR34 (0.57) ITGB3ITGA2BLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449884-A4 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS 1991-10-30 EP disclosed
EP-0449884-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-10-09 EP disclosed
WO-1990006937-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed