SCHEMBL8156340

SCHEMBL8156340

O=C(O)CSNC1CC2CCC1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
EPHX1 P07099 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
DPP4 P27487 1/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
MAPT P10636 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
SCHEMBL11333932 0.80 EPHX2 (0.40) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL3067030 0.77 EPHX2 (0.62) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL15655473 0.75 EPHX2 (0.59) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL15655475 0.75 EPHX2 (0.59) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL15655476 0.75 EPHX2 (0.59) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL4461499 0.75 EPHX2 (0.59) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL26089624 0.75 EPHX2 (0.59) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL5988119 0.74 DPP4 (0.55) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL5987777 0.73 DPP4 (0.54) EPHX2EPHX1TAS1R3TAS1R1TAS1R2
SCHEMBL3071717 0.72 EPHX2 (0.61) EPHX2EPHX1TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028961-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM PLC (GB) 2000-08-23 EP disclosed
WO-1999021855-A1 PLEUROMUTILIN DERIVATIVES AS ANTIMICROBIALS SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-06 WO disclosed