SCHEMBL8405117

SCHEMBL8405117

CCOC(=O)C(C)(C)C(O)CCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.50
CYP4A11 Q02928 4/20 0.50
MMP8 P22894 1/20 0.37
PKM P14618 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.34
CPB2 Q96IY4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL19425457 0.87 CA2 (0.43) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL27895587 0.79 TSHR (0.42) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL13575716 0.77 CYP4F2 (0.44) CYP4F2CYP4A11MMP8MEN1KMT2A
SCHEMBL8934754 0.75 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1TSHRPTGS1
SCHEMBL10526432 0.75 ACACB (0.38) ALDH1A1TSHRHTR2APPARAPTGS1
SCHEMBL14763981 0.73 CYP4F2 (0.43) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL79746 0.72 MMP8 (0.47) CYP4F2CYP4A11MMP8PKMMEN1
SCHEMBL28617674 0.71 LMNA (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL28617773 0.71 LMNA (0.44) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL3377964 0.70 MGAM (0.41) CYP4F2CYP4A11MEN1KMT2AKDM4E

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-0925321-A1 PREPOLYMERS CONTAINING MALEIMID FUNCTIONS, METHOD OF PRODUCING AND USE THEREOF CRAY VALLEY SA (FR) 1999-06-30 EP claimed
WO-1998011151-A1 PREPOLYMERS CONTAINING MALEIMID FUNCTIONS, METHOD OF PRODUCING AND USE THEREOF CRAY VALLEY S.A. (FR) 1998-03-19 WO claimed
WO-1996029371-A1 WATERBORNE COATING COMPOSITIONS HAVING IMPROVED SMOOTHNESS PPG INDUSTRIES, INC. (US) 1996-09-26 WO disclosed