SCHEMBL9458952

SCHEMBL9458952

COC(=O)CC1CCC(c2ccccc2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 2/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAPT P10636 2/20 0.39
IDO1 P14902 1/20 0.39
MAPK1 P28482 2/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
SLC18A3 Q16572 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL9734174 0.86 TP53 (0.43) MAPTTSHRALDH1A1TP53L3MBTL1
SCHEMBL13008024 0.79 IDO1 (0.55) KMT2AMEN1LMNAAKR1C3AKR1C1
SCHEMBL10197495 0.79 IDO1 (0.55) KMT2AMEN1LMNAAKR1C3AKR1C1
SCHEMBL3235237 0.77 KMT2A (0.47) KMT2AMEN1LMNAAKR1C3AKR1C1
SCHEMBL14369928 0.72 MAPT (0.43) KMT2AMEN1AKR1C3AKR1C1MAPT
SCHEMBL14369927 0.72 MAPT (0.43) KMT2AMEN1AKR1C3AKR1C1MAPT
SCHEMBL27763781 0.71 ACHE (0.42) LMNA
SCHEMBL3338887 0.71 MEN1 (0.45) KMT2AMEN1LMNAALDH1A1SLC18A3
SCHEMBL17400432 0.71 HTR2C (0.47)
SCHEMBL8168719 0.71 MTNR1A (0.46)

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-5221678-A Cardiovascular disorders, antiinflammatory agents, antiallergens MERCK FROSST CANADA, INC. (CA) 1993-06-22 US disclosed
EP-0468785-A2 (Quinolin-2-ylmethoxy)tetrahydrocarbazoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC. (CA) 1992-01-29 EP disclosed