SCHEMBL11856427

SCHEMBL11856427

O=C(O)CCCSC(=S)SCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
CYP1A2 P05177 2/20 0.48
LMNA P02545 5/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
NFKB1 P19838 2/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
GABRR3 A8MPY1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
HDAC3 O15379 1/20 0.40
GABBR2 O75899 1/20 0.40
THRB P10828 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL4455772 0.84 CYP1A2 (0.65) TSHRCYP1A2LMNASLC22A6NFKB1
SCHEMBL15974606 0.83 TSHR (0.48) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL4455371 0.82 GPR84 (0.63) TSHRCYP1A2LMNASLC22A6ALDH1A1
SCHEMBL9710137 0.81 CYP1A2 (0.75) TSHRCYP1A2LMNASLC22A6NFKB1
SCHEMBL4731418 0.81 CYP1A2 (0.50) TSHRCYP1A2SLC22A6ALDH1A1KMT2A
SCHEMBL28870876 0.77 LMNA (0.50) TSHRCYP1A2LMNASLC22A6NFKB1
SCHEMBL20472265 0.76 TSHR (0.45) TSHRCYP1A2LMNASLC22A6NFKB1
SCHEMBL11880033 0.75 TSHR (0.48) TSHRCYP1A2LMNASLC22A6NFKB1
SCHEMBL1820452 0.75 TSHR (0.54) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL16558618 0.75 CYP1A2 (0.60) TSHRCYP1A2LMNASLC22A6NFKB1

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-3976769-A INSECTICIDE AIRWICK INDUSTRIES, INC. (US) 1976-08-24 US disclosed