SCHEMBL5158236

SCHEMBL5158236

C=CC(=O)Sc1ccccc1SC(=O)C=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
POLB P06746 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TGM2 P21980 2/20 0.39
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
EGFR P00533 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7270642 0.94 AKT1 (0.39) AKT1POLBCA12CA1CA2
SCHEMBL27460827 0.85 POLB (0.41) AKT1POLBCA12CA1CA2
SCHEMBL27233270 0.85 PSMD14 (0.35) AKT1POLBCA12CA1CA2
SCHEMBL22444358 0.82 HTR7 (0.41) AKT1POLBCA12CA1CA2
SCHEMBL28760920 0.82 ACHE (0.47) AKT1POLBCA12CA1CA2
SCHEMBL29217903 0.82 NR4A1 (0.44) POLBTGM2ALDH1A1KMT2AKDM4E
SCHEMBL27460823 0.81 SLC6A2 (0.42) POLBCA12CA1CA2CA4
SCHEMBL330818 0.79 AKT1 (0.46) AKT1POLBCA12CA1CA2
SCHEMBL27460825 0.78 MEN1 (0.39) POLBALDH1A1ALOX15CYP3A4KMT2A
SCHEMBL4857114 0.75 AKT1 (0.36) AKT1TGM2ALDH1A1MAPTHPGD

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
EP-1544220-B1 RESIN COMPOSITION CONTAINING ULTRAFINE INORGANIC PARTICLE MITSUI CHEMICALS INC (JP) 2007-01-10 EP disclosed
EP-1544220-A1 RESIN COMPOSITION CONTAINING ULTRAFINE INORGANIC PARTICLE Mitsui Chemicals, Inc. (JP) 2005-06-22 EP disclosed