SCHEMBL6880455

SCHEMBL6880455

OCCCc1ccc(-c2cccnn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.44
HDAC4 P56524 2/20 0.40
DHODH Q02127 1/20 0.40
CES1 P23141 1/20 0.39
WNT3A P56704 5/20 0.39
FAAH O00519 1/20 0.39
HAT1 O14929 2/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
CA2 P00918 1/20 0.38
CYP4A11 Q02928 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL6215593 0.82 MKNK1 (0.50) EP300HDAC4DHODHWNT3ARIPK1
SCHEMBL6854741 0.79 EP300 (0.40) EP300HDAC4DHODHCES1WNT3A
SCHEMBL6874956 0.78 CYP1A2 (0.49) CES1FAAHLTA4HEPHX2CA2
SCHEMBL6878881 0.75 EP300 (0.41) EP300HDAC4DHODHCES1WNT3A
SCHEMBL6852546 0.75 WNT3A (0.42) EP300HDAC4DHODHWNT3A
SCHEMBL3118237 0.75 CYP2A6 (0.50) EP300HDAC4DHODHWNT3ALTA4H
SCHEMBL13637169 0.75 RAB9A (0.44) HDAC4DHODHWNT3A
SCHEMBL3118227 0.75 HDAC4 (0.40) EP300HDAC4DHODHWNT3A
SCHEMBL3535251 0.73 CA2 (0.54) LTA4HEPHX2CA2CYP4A11
SCHEMBL6876121 0.73 AOC3 (0.50) EP300HDAC4DHODHWNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed