SCHEMBL11547996

SCHEMBL11547996

CC=C(Oc1ccc(Oc2ccccc2C(F)(F)F)cc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 3/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FFAR1 O14842 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
SCHEMBL11268738 0.79 KIF11 (0.46) MAOBLMNAMAPTMEN1KMT2A
SCHEMBL11268743 0.79 KIF11 (0.46) MAOBLMNAMAPTMEN1KMT2A
SCHEMBL19744201 0.77 MAOB (0.42) MAOBSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19744001 0.77 MAOB (0.42) MAOBSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL11521654 0.76 LTA4H (0.58) ALDH1A1LPAR1LPAR5LTA4HPTGS2
SCHEMBL15508898 0.74 HDAC3 (0.48) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL15515706 0.74 HDAC3 (0.48) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL23771724 0.74 HTR2A (0.41) MAOB
SCHEMBL29963736 0.74 HTR2A (0.41) MAOB
SCHEMBL11161061 0.74 MAPT (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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-4163661-A Phenoxyphenoxy crotonic acid derivatives and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1979-08-07 US disclosed