SCHEMBL9236151

SCHEMBL9236151

COC(=O)CCC1CCN(C(=O)[C@H]2CC[C@H](NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.51
EPHX2 P34913 3/20 0.48
EPHX1 P07099 1/20 0.46
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
STS P08842 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL9231469 0.90 HPGD (0.54) HPGDRECQLEPHX2EPHX1PTPN2
SCHEMBL9409402 0.86 EPHX2 (0.45) HPGDRECQLEPHX2EPHX1PTPN2
SCHEMBL594491 0.84 KDM4E (0.51) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL9237519 0.82 HPGD (0.51) HPGDRECQLEPHX2EPHX1PTPN2
SCHEMBL1514783 0.81 EPHX1 (0.64) HPGDRECQLEPHX2EPHX1PTPN2
Trifluoroacetic Acid SCHEMBL9237994 0.80 POLB (0.40) EPHX2
SCHEMBL28577157 0.79 KDM4E (0.47) HPGDRECQLEPHX2EPHX1PTPN2
SCHEMBL7928638 0.78 KDM4E (0.45) HPGDRECQLEPHX1ALDH1A1KDM4E
SCHEMBL1609547 0.78 EPHX1 (0.59) HPGDRECQLEPHX2EPHX1PTPN2
SCHEMBL3771276 0.78 EPHX1 (0.59) HPGDRECQLEPHX2EPHX1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed