SCHEMBL22912125

SCHEMBL22912125

C=C(/C=C(\C)c1ccccc1)C(C)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ DEGS1 O15121 1/20 0.38
▸ KDM1A O60341 1/20 0.36
▸ CES1 P23141 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CES2 O00748 1/20 0.32
▸ ATM Q13315 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL22252510 0.76 DEGS1 (0.44) NR4A1NR4A2NR4A3DEGS1KDM1A
SCHEMBL10479693 0.74 DEGS1 (0.43) NR4A1NR4A2NR4A3DEGS1KDM1A
SCHEMBL19141920 0.74 DEGS1 (0.43) NR4A1NR4A2NR4A3DEGS1KDM1A
SCHEMBL10479698 0.74 DEGS1 (0.43) NR4A1NR4A2NR4A3DEGS1KDM1A
SCHEMBL11243121 0.72 KDM1A (0.44) NR4A1NR4A2NR4A3DEGS1KDM1A
SCHEMBL5858034 0.72 NR4A1 (0.51) NR4A1NR4A2NR4A3DEGS1CES1
SCHEMBL5858029 0.72 NR4A1 (0.51) NR4A1NR4A2NR4A3DEGS1CES1
SCHEMBL20917036 0.71 DEGS1 (0.43) NR4A1NR4A2NR4A3DEGS1CES1
SCHEMBL20917231 0.71 DEGS1 (0.43) NR4A1NR4A2NR4A3DEGS1CES1
SCHEMBL20917037 0.71 DEGS1 (0.43) NR4A1NR4A2NR4A3DEGS1CES1

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
EP-3522715-B1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-20 — — EP disclosed
Send feedback