SCHEMBL7102527

SCHEMBL7102527

CCC[CH]n1cnc2cncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LTA4H P09960 1/20 0.34
CYP1A2 P05177 11/20 0.33
CYP2C19 P33261 9/20 0.33
ALDH1A1 P00352 9/20 0.33
CYP3A4 P08684 9/20 0.33
CYP2C9 P11712 9/20 0.33
TSHR P16473 7/20 0.33
LMNA P02545 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HBB P68871 1/20 0.33
USP2 O75604 5/20 0.32
HSD17B10 Q99714 2/20 0.31
MAPK1 P28482 1/20 0.31
CLK4 Q9HAZ1 4/20 0.31
CYP2D6 P10635 3/20 0.31
MKNK2 Q9HBH9 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
SCHEMBL7109675 0.75 HDAC6 (0.34) HDAC1HDAC6LTA4H
SCHEMBL7154569 0.74 FGFR1 (0.43) LTA4HALDH1A1CYP2C9LMNAHSD17B10
SCHEMBL434034 0.73 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL6007639 0.73 FDPS (0.41) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL9755286 0.73 FDPS (0.35) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL2451018 0.73 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
Butane SCHEMBL8656661 0.72 FDPS (0.41) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL31024294 0.72 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL10163117 0.72 FDPS (0.51) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL29941724 0.72 FDPS (0.54) FDPSHDAC1HDAC6LTA4HCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US claimed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP claimed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO claimed
EP-1345953-A2 KETOLIDE ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 EP disclosed
US-6590083-B1 Compounds of given formula; erythromycin derivatives; useful in the treatment of bacterial and protozoal infections and conditions involving gastric motility ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-08 US disclosed
US-6458771-B1 SERIES OF KETOLIDE ANTIBACTERIALS IN THE MACROLIDE FAMILY, DRUGS AND INTERMEDIATES, ERYTHROMYCIN ANALOGUES USEFUL IN THE TREATMENT OF BACTERIAL AND PROTOZOAL INFECTIONS AND IN THE TREATMENT OF GASTRIC MOTILITY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-01 US disclosed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US disclosed
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO disclosed