SCHEMBL9642440

SCHEMBL9642440

C/C=C(/C(=O)OC)c1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 5/20 0.59
NPC1 O15118 1/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
BRD4 O60885 1/20 0.50
LIPE Q05469 1/20 0.49
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL1097809 1.00 SGMS2 (0.59) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL6938166 0.90 SGMS2 (0.58) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL10443318 0.90 SGMS2 (0.58) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL7164705 0.89 SGMS2 (0.57) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL1097807 0.89 SGMS2 (0.57) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL712291 0.89 SGMS2 (0.57) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL8827709 0.87 SGMS2 (0.56) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL9731418 0.86 SGMS2 (0.50) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL9643397 0.84 SGMS2 (0.60) SGMS2NPC1LMNAMAPTL3MBTL1
SCHEMBL14003834 0.82 SGMS2 (0.55) SGMS2NPC1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280185-B1 SUBSTITUTED CROTONIC ACID ESTERS AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1992-09-09 EP disclosed
US-4937372-A Substituted crotonates and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1990-06-26 US disclosed
EP-0280185-A2 Substituted crotonic acid esters and fungicides containing them BASF Aktiengesellschaft (DE) 1988-08-31 EP disclosed