SCHEMBL9731418

SCHEMBL9731418

CC=C(C(=O)Oc1ccccc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.50
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 1/20 0.47
LIPE Q05469 1/20 0.47
PTGER1 P34995 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FAAH O00519 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP1 P09874 1/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL9647587 0.88 SGMS2 (0.47) SGMS2NPC1HTTGAALIPE
SCHEMBL9730334 0.88 SGMS2 (0.47) SGMS2NPC1HTTGAALIPE
SCHEMBL9642440 0.86 SGMS2 (0.59) SGMS2NPC1HTTGAALIPE
SCHEMBL1097809 0.86 SGMS2 (0.59) SGMS2NPC1HTTGAALIPE
SCHEMBL8827709 0.84 SGMS2 (0.56) SGMS2NPC1HTTGAALIPE
SCHEMBL6596226 0.79 HTT (0.46) SGMS2NPC1HTTGAALIPE
SCHEMBL9574658 0.77 HSD17B10 (0.60) SGMS2NPC1HTTGAAMEN1
SCHEMBL6938166 0.77 SGMS2 (0.58) SGMS2NPC1HTTGAALIPE
SCHEMBL10443318 0.77 SGMS2 (0.58) SGMS2NPC1HTTGAALIPE
SCHEMBL7164705 0.76 SGMS2 (0.57) SGMS2NPC1HTTGAAMEN1

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
US-5120755-A FUNGICIDAL SUBSTITUTED ACRYLIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
US-4968709-A AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed