SCHEMBL8494205

SCHEMBL8494205

CCCNCc1ccc(Oc2ccccc2)o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALOX12 P18054 1/20 0.38
CHRM2 P08172 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LTA4H P09960 5/20 0.37
EPHX2 P34913 1/20 0.35
KLKB1 P03952 1/20 0.35
DRD4 P21917 1/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
HTR6 P50406 4/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL10863982 0.85 MC4R (0.40) CHRM2LTA4HEPHX2KLKB1DRD4
SCHEMBL8445838 0.72 LTA4H (0.62) MAPTALOX12LTA4HEPHX2DRD4
SCHEMBL7995940 0.72 LTA4H (0.41) MAPTMAOALTA4HKLKB1POLB
SCHEMBL920441 0.72 CYP2E1 (0.48) MAOALTA4H
SCHEMBL6429186 0.72 LTA4H (0.47) MAPTLTA4HKLKB1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL8492706 0.71 LTA4H (0.60) MAPTALOX12LTA4HEPHX2DRD4
SCHEMBL8496849 0.70 CD274 (0.42) MAPTALOX12MAOAMAOBLTA4H
SCHEMBL8493176 0.69 KDM4E (0.64) CHRM2DRD4ALDH1A1HTTKMT2A
SCHEMBL11359616 0.68 CHRM2 (0.44) MAPTCHRM2MAOAMAOBPOLB
SCHEMBL13614230 0.67 TDP1 (0.53) MAPTPOLBESR2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 EP disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
US-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 WO disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 WO disclosed