SCHEMBL8972383

SCHEMBL8972383

C=C(CCCCC)C(=C)C(=C)C(=C)C(=C)C(=C)C(C(N)=O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SOAT1 P35610 1/20 0.36
AKR1B1 P15121 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 7/20 0.34
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34

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
SCHEMBL4553797 0.88 CES2 (0.30) CES2CES1
SCHEMBL17818504 0.84 MEN1 (0.38) CES2CES1MEN1KMT2AFAAH
SCHEMBL123158 0.80 CES2 (0.43) CES2CES1MEN1KMT2AFAAH
SCHEMBL28078307 0.80 CA1 (0.34) CES2CES1TP53ALDH1A1
SCHEMBL9596835 0.79 SPHK1 (0.33) CES2CES1MEN1KMT2AAKR1B1
SCHEMBL5029026 0.79 CES2 (0.45) CES2CES1MEN1KMT2AFAAH
SCHEMBL5027330 0.79 CES2 (0.45) CES2CES1MEN1KMT2AFAAH
SCHEMBL3984615 0.79 CES2 (0.45) CES2CES1MEN1KMT2AFAAH
SCHEMBL1407233 0.79 CES2 (0.45) CES2CES1MEN1KMT2AFAAH
SCHEMBL27727796 0.79 CES2 (0.45) CES2CES1MEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180671-B1 PROTECTIVE CLOTHING E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-09-28 EP claimed
EP-0037744-B1 PROTECTIVE CLOTHING FOR CONFINING TOXIC COMPOUNDS USING FILM OF HIGHLY FLUORINATED ION EXCHANGE POLYMER E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-07-04 EP claimed
EP-0037745-B1 WATERPROOF PROTECTIVE COVERS COMPRISING A FILM OF HIGHLY FLUORINATED ION EXCHANGE POLYMER E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-27 EP claimed
EP-0469961-B1 Multicolour coating, process for its preparation, composite materials comprising such a coating ATOCHEM ELF SA (FR) 1996-03-20 EP disclosed
EP-0469961-A1 Multicolour coating, process for its preparation, composite materials comprising such a coating ELF ATOCHEM S.A. (FR) 1992-02-05 EP disclosed