SCHEMBL8323387

SCHEMBL8323387

COc1cc(Cl)c(NC(=O)c2ccc(OC)c3c2c2c(n3Cc3ccc(F)cc3)CCCC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.43
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FABP3 P05413 1/20 0.37
PLA2G2A P14555 1/20 0.37
PDE4A P27815 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
SCHEMBL7130963 0.90 PDE4D (0.48) FABP4PDE4APDE4BPDE4CPDE4D
SCHEMBL7134032 0.87 FABP4 (0.49) FABP4MAPTLMNAMEN1KMT2A
SCHEMBL7131026 0.82 SMN1; SMN2 (0.46) FABP4MAPTLMNAMEN1KMT2A
SCHEMBL7122377 0.82 FABP4 (0.51) FABP4MAPTLMNAMEN1KMT2A
SCHEMBL7066692 0.81 FABP4 (0.60) FABP4LMNAMEN1KMT2AALDH1A1
SCHEMBL7122581 0.75 PDE4B (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL7163821 0.73 SMN1; SMN2 (0.43) FABP4MAPTLMNAKMT2AALDH1A1
SCHEMBL5016454 0.72 PDE4D (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL8263103 0.72 PDE4D (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL84871 0.72 PDE4D (0.47) PDE4APDE4BPDE4CPDE4D

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
WO-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed