SCHEMBL6987491

SCHEMBL6987491

COc1ccccc1C(=O)N(CC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.45
PTPN11 Q06124 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.42
NPY1R P25929 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL5867906 0.85 ALDH1A1 (0.54) PTPRBPTPN11ALDH1A1KMT2AMEN1
SCHEMBL6990627 0.81 ATM (0.48) ALDH1A1ATMNPY1RSMN1; SMN2NPSR1
SCHEMBL5868120 0.80 KMT2A (0.52) PTPRBPTPN11ALDH1A1KMT2AMEN1
SCHEMBL5868093 0.78 SMYD3 (0.45) PTPRBPTPN11KMT2AMEN1KDM4E
SCHEMBL2212963 0.74 LMNA (0.52) PTPRBPTPN11ALDH1A1KMT2AMEN1
SCHEMBL5868024 0.73 KDM4E (0.58) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL5868022 0.73 GPR119 (0.56) ALDH1A1KMT2AMEN1LMNATHRB
SCHEMBL14655077 0.72 KMT2A (0.56) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL29744615 0.72 ALDH1A1 (0.63) ALDH1A1KDM4EPKMGPR119NPC1
SCHEMBL1673587 0.72 ALDH1A1 (0.63) ALDH1A1KDM4EPKMGPR119NPC1

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-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed