SCHEMBL9403239

SCHEMBL9403239

NCCCC(N)(N)C(=O)O.O=C(O)CCCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.52
GPR84 Q9NQS5 1/20 0.52
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
CYP2D6 P10635 1/20 0.52
LMNA P02545 5/20 0.50
BLM P54132 3/20 0.50
THRB P10828 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PLG P00747 1/20 0.50
ALOX15 P16050 1/20 0.50
SLC6A2 P23975 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TSHR P16473 2/20 0.48
CYP1A2 P05177 2/20 0.48
GABRR3 A8MPY1 1/20 0.48

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
SCHEMBL27739960 0.82 LMNA (0.52) NFKB1GPR84FFAR1FFAR4CYP2D6
SCHEMBL29290 0.82 LMNA (0.52) NFKB1GPR84FFAR1FFAR4CYP2D6
SCHEMBL6632838 0.82 ODC1 (0.56) NFKB1CYP2D6LMNABLMTHRB
SCHEMBL10657140 0.82 ARG2 (0.48) GPR84FFAR1FFAR4LMNABLM
Glycine SCHEMBL5929321 0.81 NFKB1 (0.48) NFKB1GPR84FFAR1FFAR4CYP2D6
SCHEMBL31009783 0.81 TSHR (0.55) NFKB1GPR84FFAR1FFAR4CYP2D6
SCHEMBL28977817 0.81 TSHR (0.55) NFKB1GPR84FFAR1FFAR4CYP2D6
SCHEMBL498122 0.81 TSHR (0.55) NFKB1GPR84FFAR1FFAR4CYP2D6
SCHEMBL7771205 0.81 TSHR (0.55) NFKB1GPR84FFAR1FFAR4CYP2D6
Pimelic Acid SCHEMBL18600626 0.81 TSHR (0.55) NFKB1GPR84FFAR1FFAR4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371185-A 1-amino thiorcyl benzimidazoyl-2-one compounds BIOCHEM PHARMA INC. (CA) 1994-12-06 US disclosed