SCHEMBL6672200

SCHEMBL6672200

CC(C)(C)NC(=O)Nc1ccc(O)cc1O.O=C(NCC1CCCCC1)Nc1ccc(O)cc1O.O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1O.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(O)cc1O.O=C(Nc1ccc(Cl)cc1)Nc1ccc(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.46
NAMPT P43490 3/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
EPHX1 P07099 2/20 0.40
EPHX2 P34913 2/20 0.40
CNR1 P21554 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CCR3 P51677 1/20 0.40
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
USP30 Q70CQ3 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL6668636 0.82 MTOR (0.48) MTORNAMPTRAB9ANPC1EPHX1
SCHEMBL6226495 0.77 CHRNA7 (0.51) MTORNAMPTRAB9ANPC1EPHX1
SCHEMBL6699059 0.77 EPHX2 (0.39) EPHX1EPHX2
SCHEMBL6673094 0.75 MTOR (0.43) MTORNAMPTEPHX1EPHX2CCR3
SCHEMBL4355887 0.73 MTOR (0.67) MTORNAMPTTRPV1
SCHEMBL6225471 0.72 SMN1; SMN2 (0.36) MTORTRPV1LMNAL3MBTL1MAPT
SCHEMBL4343621 0.71 EPHX1 (0.56) RAB9ANPC1EPHX1EPHX2POLB
SCHEMBL6672789 0.70 EPHX1 (0.60) RAB9ANPC1EPHX1EPHX2TRPV1
SCHEMBL6229028 0.69 MTOR (0.56) MTORNAMPTRAB9ACNR1TRPV1
SCHEMBL4350115 0.69 BAZ1A (0.65) MTORRAB9AEPHX2TRPV1MAPT

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-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed