SCHEMBL18973649

SCHEMBL18973649

Cc1ccc2[nH]cc(C(CC(=O)c3ccc(Cl)cc3Cl)C(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
MGAM O43451 2/20 0.45
GAA P10253 2/20 0.45
SI P14410 2/20 0.45
MGAM2 Q2M2H8 2/20 0.45
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
GUSB P08236 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL18973648 0.92 MEN1 (0.51) MEN1MAPTPKMKMT2AMGAM
SCHEMBL18973676 0.88 MEN1 (0.45) MEN1MAPTPKMKMT2AMGAM
SCHEMBL18973662 0.87 MEN1 (0.46) MEN1MAPTPKMKMT2AMGAM
SCHEMBL18973678 0.87 MAPT (0.50) LMNARAB9AMEN1MAPTPKM
SCHEMBL18973831 0.86 KMT2A (0.65) LMNAMEN1MAPTPKMKMT2A
SCHEMBL18973650 0.85 KMT2A (0.51) LMNAMEN1MAPTPKMKMT2A
SCHEMBL21175063 0.81 MEN1 (0.46) LMNARAB9AMEN1MAPTPKM
SCHEMBL18973651 0.81 MEN1 (0.46) MEN1MAPTPKMKMT2AMGAM
SCHEMBL18962412 0.81 KMT2A (0.47) MEN1MAPTPKMKMT2AMGAM
SCHEMBL18973675 0.81 MAPT (0.50) LMNARAB9AMEN1MAPTPKM

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