SCHEMBL7662936

SCHEMBL7662936

CC1=NC(C)(c2ccccc2)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
BACE1 P56817 5/20 0.37
ALDH1A1 P00352 3/20 0.36
BACE2 Q9Y5Z0 3/20 0.35
REN P00797 1/20 0.35
APP P05067 1/20 0.35
HSD11B1 P28845 2/20 0.35
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL8209492 0.84 CTSD (0.37) BACE1ALDH1A1BACE2HSD11B1LMNA
SCHEMBL6827479 0.78 BACE1 (0.43) MMP2MMP9BACE1BACE2REN
SCHEMBL3969972 0.78 BACE1 (0.33) MMP2MMP9BACE1ALDH1A1BACE2
SCHEMBL509095 0.76 CYP1A2 (0.33) MMP2MMP9BACE1ALDH1A1BACE2
SCHEMBL8701537 0.73 MEN1 (0.41) ALDH1A1LMNAKMT2A
SCHEMBL11245064 0.72 LMNA (0.38) MMP2MMP9BACE1ALDH1A1BACE2
SCHEMBL7272506 0.69 ELANE (0.40) MMP2MMP9BACE1ALDH1A1CYP2C9
SCHEMBL7219255 0.69 ELANE (0.40) MMP2MMP9BACE1ALDH1A1CYP2C9
SCHEMBL8627083 0.68
SCHEMBL28548234 0.66 HCAR2 (0.53) MMP2MMP9ALDH1A1HSD11B1HCAR3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344564-B1 FUNGICIDES RHONE-POULENC, INC. 2002-02-05 US disclosed
US-6018052-A APPLYING TO CROPS OR THEIR SEEDS TO PREVENT OR CURE FUNGAL DISEASES; STEREOSPECIFIC COMPOUND WITH IMPROVED BIOLOGICAL ACTIVITY RHONE-POULENC AGROCHIMIE (FR) 2000-01-25 US disclosed
US-6008370-A FUNGICIDAL IMIDAZOLINONE AND IMIDAZOLINETHIONE COMPOUNDS FOR USE IN PLANT PROTECTION RHONE-POULENC AGROCHIMIE (FR) 1999-12-28 US disclosed
US-6002016-A Fungicidal 2-imidazolin-5-ones and 2-imidazoline-5-thiones RHONE-POULENC AGROCHIMIE (FR) 1999-12-14 US disclosed
US-5650519-A Optically active 5, 5-disubstituted-3-(mono- or disubstituted amino)-2-thiohydantoin intermediates to fungicidal 2-imidazolin-5-ones RHONE-POULENC AGROCHIMIE (FR) 1997-07-22 US disclosed
US-5637729-A AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-06-10 US disclosed
EP-0648210-A1 FUNGICIDAL 2-IMIDAZOLINE-5-ONE AND 2-IMIDAZOLINE-5-THIONE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1995-04-19 EP disclosed
WO-1994001410-A1 FUNGICIDAL 2-IMIDAZOLINE-5-ONE AND 2-IMIDAZOLINE-5-THIONE DERIVATIVES RHONE POULENC AGROCHIMIE (FR) 1994-01-20 WO disclosed