SCHEMBL18973648

SCHEMBL18973648

O=C(CC(C(=O)O)c1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
MGAM O43451 2/20 0.49
GAA P10253 2/20 0.49
SI P14410 2/20 0.49
MGAM2 Q2M2H8 2/20 0.49
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
NR4A2 P43354 1/20 0.42
SPR P35270 1/20 0.42
NHERF1 O14745 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41

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
SCHEMBL18973662 0.92 MEN1 (0.46) MEN1KMT2AMAPTPKMF7
SCHEMBL18973649 0.92 LMNA (0.47) MEN1KMT2AMAPTPKMF7
SCHEMBL18973831 0.91 KMT2A (0.65) MEN1KMT2AMAPTPKMMGAM
SCHEMBL18973650 0.91 KMT2A (0.51) MEN1KMT2AMAPTPKMF7
SCHEMBL18973676 0.90 MEN1 (0.45) MEN1KMT2AMAPTPKMF7
SCHEMBL18973678 0.90 MAPT (0.50) MEN1KMT2AMAPTPKMMGAM
SCHEMBL21175080 0.85 MEN1 (0.46) MEN1KMT2AMAPTPKMF7
SCHEMBL18973651 0.85 MEN1 (0.46) MEN1KMT2AMAPTPKMF7
SCHEMBL18962412 0.85 KMT2A (0.47) MEN1KMT2AMAPTPKMF7
SCHEMBL6831865 0.85 F7 (0.54) MEN1KMT2AMAPTPKMF7

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-2017098731-A1 4-PHENYL-4-OXOBUTANOIC ACID DERIVATIVE 株式会社 東北テクノアーチ 2017-06-15 WO disclosed