SCHEMBL8979538

SCHEMBL8979538

CNC(=O)CCc1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MTNR1A P48039 5/20 0.41
MTNR1B P49286 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.39
NR4A2 P43354 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
GLS O94925 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38

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
SCHEMBL9734281 0.81 TP53 (0.54) TP53GAASMN1; SMN2NPC1RAB9A
SCHEMBL12851277 0.80 TAAR1 (0.55) GAASMN1; SMN2NPC1RAB9AMTNR1A
SCHEMBL6158818 0.79 ALDH1A1 (0.50) TP53SMN1; SMN2NPC1RAB9APOLB
SCHEMBL13942638 0.78 MTNR1A (0.48) TP53GAASMN1; SMN2NPC1RAB9A
SCHEMBL27558917 0.78 CES2 (0.44) GAASMN1; SMN2NPC1RAB9APOLB
SCHEMBL19438660 0.76 MPO (0.54) EGFRSRCALDH1A1
SCHEMBL4714927 0.76 FFAR1 (0.59) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4717563 0.75 TAAR1 (0.42) TP53GAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL6303011 0.74 MPO (0.39) POLBALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL12851348 0.74 TP53 (0.67) TP53SMN1; SMN2NPC1RAB9APOLB

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
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed