SCHEMBL5068644

SCHEMBL5068644

CCC(CC)CCCCCCCCCCCCCCC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.48
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 2/20 0.44
GSTK1 Q9Y2Q3 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL20838315 0.98 TSHR (0.46) PAOXCYP3A4TSHRATMTDP1
SCHEMBL12424311 0.91 CA2 (0.47) PAOXCYP3A4TSHRATMTDP1
SCHEMBL6677823 0.90 CA2 (0.48) PAOXCYP3A4TSHRATMTDP1
SCHEMBL9700954 0.90 CA2 (0.53) CYP3A4TSHRATMTDP1CA2
SCHEMBL7152069 0.90 CA2 (0.53) CYP3A4TSHRATMTDP1CA2
SCHEMBL5086474 0.90 CA2 (0.58) PAOXCYP3A4TSHRATMTDP1
SCHEMBL9356852 0.86 PAOX (0.41) PAOXCYP3A4TSHRATMTDP1
SCHEMBL16023959 0.84 LMNA (0.52) TSHRTDP1FFAR4FFAR1ALDH1A1
SCHEMBL5878981 0.82 GSTK1 (0.61) TSHRTDP1GSTK1FFAR4FFAR1
SCHEMBL541769 0.82 GSTK1 (0.61) TSHRTDP1GSTK1FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585741-B1 CYCLIC KETONE PEROXIDE FORMULATIONS AKZO NOBEL NV (NL) 2008-10-01 EP claimed
EP-0851298-B1 Use of a solvent mixture for roller coating a radiation sensitive composition CLARIANT FINANCE BVI LTD (VG) 2004-06-16 EP claimed
EP-0234348-B1 N-GLYCOSYL AMIDE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1991-05-29 EP claimed
EP-0131804-B1 WATER-DISPERSIBLE COATING COMPOSITIONS AND PROCESS UNION CARBIDE CORPORATION (US) 1988-10-26 EP claimed
EP-0731149-B1 Ink for marking non-porous substrates IMAJE SA (FR) 1999-07-07 EP disclosed
EP-0731149-A1 Ink for marking non-porous substrates IMAJE S.A. (FR) 1996-09-11 EP disclosed