SCHEMBL5510355

SCHEMBL5510355

CCC(=O)OC(OP(=O)(O)C(F)(F)c1ccccc1Br)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.33
ACE P12821 1/20 0.33
DRD1 P21728 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN2 P17706 3/20 0.32
PTPN1 P18031 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL7164821 0.79 PTPN1 (0.65) PTPN2PTPN1ALOX15
SCHEMBL16525901 0.76 PTPN1 (0.61) PTPN2PTPN1
SCHEMBL5503555 0.74 CA1 (0.42) L3MBTL1PTPN2PTPN1SMN1; SMN2MAPT
SCHEMBL5508634 0.67 ALDH1A1 (0.42) ABCB11L3MBTL1PTPN2PTPN1SMN1; SMN2
SCHEMBL10614794 0.65 CYP2C19 (0.39) PTPN2PTPN1SMN1; SMN2MAPTKMT2A
SCHEMBL3735798 0.65 PTPN5 (0.40) PTPN1MAPT
SCHEMBL3737657 0.65 PTPN1 (0.45) PTPN2PTPN1SMN1; SMN2MAPTKDM4E
SCHEMBL3800719 0.65 PTPN1 (0.38) PTPN2PTPN1
SCHEMBL5266952 0.65 HPGD (0.43) KDM4E
SCHEMBL21348905 0.64 PPARG (0.45) KMT2AKDM4EMEN1

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-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP disclosed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO disclosed