SCHEMBL9409402

SCHEMBL9409402

COC(=O)CC[C@H]1CC[C@H](NC(=O)C2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
EPHX1 P07099 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 1/20 0.40
STS P08842 1/20 0.40
RECQL P46063 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL1207110 0.88 KDM4E (0.46) EPHX1PKMPTPN2PTPN1PTPN6
SCHEMBL9236151 0.86 HPGD (0.53) EPHX2EPHX1PKMPTPN2PTPN1
Hydrochloric Acid SCHEMBL9409489 0.84 POLB (0.43) PKMLMNAPOLBMEN1KMT2A
SCHEMBL9409578 0.81 SMN1; SMN2 (0.40) EPHX2EPHX1POLBKMT2AL3MBTL1
SCHEMBL594491 0.80 KDM4E (0.51) EPHX1PKMPTPN2PTPN1PTPN6
SCHEMBL1514783 0.80 EPHX1 (0.64) EPHX2EPHX1PTPN2PTPN1PTPN6
SCHEMBL9231469 0.77 HPGD (0.54) EPHX2EPHX1PKMPTPN2PTPN1
SCHEMBL28577157 0.76 KDM4E (0.47) EPHX2EPHX1PKMPTPN2PTPN1
SCHEMBL10177908 0.76 HPGD (0.54) EPHX1PTPN2PTPN1PTPN6KMT2A
SCHEMBL1437840 0.75 EPHX1 (0.74) EPHX2EPHX1PTPN2PTPN1PTPN6

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-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed