SCHEMBL7738368

SCHEMBL7738368

C#C[C@@H](O)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP2D6 P10635 2/20 0.48
MAPT P10636 2/20 0.48
NFKB1 P19838 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.43
ENPEP Q07075 2/20 0.42
GSTK1 Q9Y2Q3 2/20 0.42
TSHR P16473 2/20 0.42
PMP22 Q01453 1/20 0.42
HMGCR P04035 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL2235480 1.00 LMNA (0.48) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL25272156 0.93 CYP2D6 (0.48) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL25272157 0.93 CYP2D6 (0.48) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL30343570 0.86
SCHEMBL11656320 0.77 USP2 (0.33)
SCHEMBL379236 0.76 LMNA (0.47) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL1712974 0.76 LMNA (0.47) LMNACYP2D6MAPTNFKB1CYP1A2
SCHEMBL9644802 0.75 TSHR (0.52) LMNATSHR
SCHEMBL11653010 0.75 USP2 (0.37)
SCHEMBL10415139 0.72 HMGCR (0.59) LMNACYP2D6MAPTNFKB1CYP1A2

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
US-20110229883-A1 Biochemical Markers for Disease States and Genes for Identification of Biochemical Defects RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2011-09-22 US disclosed
US-20110229883-A1 Biochemical Markers for Disease States and Genes for Identification of Biochemical Defects RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2011-09-22 US disclosed
WO-2008124187-A1 BIOCHEMICAL MARKERS FOR DISEASE STATES AND GENES FOR IDENTIFICATION OF BIOCHEMICAL DEFECTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NJ (US) 2008-10-16 WO disclosed
EP-0866791-B1 DIAMINOPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIBACTERIAL ARPIDA AG (CH) 2002-01-30 EP disclosed
EP-1149834-A1 Diaminopyrimidines, pharmaceutical compositions containing them and their use as antibacterial F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-5773446-A BACTERICIDES; CONTROLLING INFECTIONS HOFFMANN-LA ROCHE INC. (US) 1998-06-30 US disclosed