SCHEMBL8301548

SCHEMBL8301548

COC(=O)[C@H]1CC(C(=O)O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
PDE4B Q07343 1/20 0.43
HPGD P15428 1/20 0.42
BRD4 O60885 1/20 0.41
EPHX1 P07099 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
BTK Q06187 1/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37

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
SCHEMBL89517 1.00 NR1H2 (0.47) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL89501 1.00 NR1H2 (0.47) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL90294 1.00 NR1H2 (0.47) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL2900961 1.00 NR1H2 (0.47) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL13461234 1.00 NR1H2 (0.47) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL55893 1.00 NR1H2 (0.47) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL7953060 1.00 NR1H2 (0.47) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL10283547 0.94 NR1H2 (0.51) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL89018 0.94 NR1H2 (0.51) NR1H2PDE4BHPGDBRD4EPHX1
SCHEMBL13461241 0.94 NR1H2 (0.51) NR1H2PDE4BHPGDBRD4EPHX1

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-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed