SCHEMBL6667062

SCHEMBL6667062

CCCOC(=O)C(NC(=O)OC(C)(C)C)C(CCCNC(=O)OC(C)(C)C)c1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
BRD4 O60885 1/20 0.36
P2RY2 P41231 1/20 0.36
MAPT P10636 5/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
PAX8 Q06710 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
NR3C1 P04150 1/20 0.33
LMNA P02545 1/20 0.33
P2RX3 P56373 1/20 0.32

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
SCHEMBL6200591 0.88 BRD4 (0.36) POLBBRD4P2RY2MAPTNPSR1
SCHEMBL6200596 0.82 BRD4 (0.37) POLBBRD4P2RY2MAPTNPSR1
SCHEMBL6671910 0.81 P2RX3 (0.36) POLBMAPTNPSR1ACVR1BTGFBR1
SCHEMBL6672316 0.81 NR3C1 (0.37) MAPTCNR2NR3C1LMNA
SCHEMBL6195418 0.80 TRPA1 (0.39) MAPTNPSR1ACVR1BTGFBR1ACVRL1
SCHEMBL6197930 0.80 POLB (0.45) POLBBRD4P2RY2MAPTNPSR1
SCHEMBL6201678 0.79 GAA (0.37) POLBMAPTACVR1BTGFBR1ACVRL1
Trifluoroacetic Acid SCHEMBL6672935 0.79 LMNA (0.36) POLBMAPTCNR1CNR2NR3C1
SCHEMBL6666974 0.75 LMNA (0.39) POLBMAPTKMT2AMEN1CNR2
SCHEMBL6201682 0.74 GAA (0.36) POLBMAPTACVR1BTGFBR1ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed