SCHEMBL28077006

SCHEMBL28077006

CC1C=Cc2ccccc2C1=O.O=C1CC=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
PTPRC P08575 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
IDO1 P14902 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
PTPN1 P18031 1/20 0.33
CES1 P23141 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL396141 0.85 MEN1 (0.42) ACHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL249997 0.82 CES1 (0.45) ACHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL29385734 0.82 CES1 (0.45) ACHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL30676949 0.80 CES1 (0.43) ACHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL6487919 0.80 CES1 (0.43) ACHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL28084233 0.80 CES1 (0.43) ACHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL30862184 0.80 CES1 (0.43) ACHEMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2710070 0.80 MEN1 (0.43) ACHEMEN1KMT2AKDM4EALDH1A1
Methane SCHEMBL28320529 0.80 CES1 (0.43) ACHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL28008549 0.80 CES1 (0.43) ACHEMEN1KMT2AKDM4EALDH1A1

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
CN-103502315-B Composition and polymer 旭化成株式会社 2016-08-17 CN disclosed
CN-105754099-A Composition and polymer 旭化成株式会社 2016-07-13 CN disclosed