SCHEMBL5149842

SCHEMBL5149842

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)O)cc2OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
FPR2 P25090 1/20 0.49
MCHR1 Q99705 1/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTNR1B P49286 1/20 0.46
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAF1 P04049 1/20 0.44
PDGFRA P16234 2/20 0.44

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
SCHEMBL4683708 1.00 PKM (0.63) PKMTAS1R3TAS1R1MEN1KMT2A
SCHEMBL4233456 0.91 PKM (0.63) PKMTAS1R3TAS1R1MEN1KMT2A
SCHEMBL5149580 0.90 PKM (0.53) PKMTAS1R3TAS1R1MEN1KMT2A
SCHEMBL4228811 0.89 PKM (0.60) PKMTAS1R3TAS1R1MEN1KMT2A
SCHEMBL4226971 0.89 PKM (0.60) PKMTAS1R3TAS1R1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL4235457 0.88 PKM (0.58) PKMTAS1R3TAS1R1MEN1KMT2A
SCHEMBL4237344 0.87 PKM (0.58) PKMTAS1R3TAS1R1MEN1KMT2A
SCHEMBL4238753 0.87 CYP1A2 (0.59) PKMTAS1R3TAS1R1MEN1KMT2A
SCHEMBL4229112 0.87 PKM (0.57) PKMTAS1R3TAS1R1MEN1KMT2A
SCHEMBL4229275 0.86 PKM (0.63) PKMTAS1R3TAS1R1MEN1KMT2A

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed