SCHEMBL10338604

SCHEMBL10338604

O=C(O)c1ccc(C(=O)O)c(C2=CC=CCC2=S)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.39
MYC P01106 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TTR P02766 1/20 0.35
PTPRC P08575 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
TDP2 O95551 1/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
AKR1B10 O60218 2/20 0.33
AKR1B1 P15121 2/20 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
SCHEMBL10414451 0.78 MYC (0.40) ACE2MYCKDM4ETTRPTPRC
SCHEMBL29699465 0.73 KDM4E (0.55) ACE2MYCKDM4ETTRPTPRC
SCHEMBL29370227 0.73 KDM4E (0.55) ACE2MYCKDM4ETTRPTPRC
SCHEMBL7633476 0.73 KDM4E (0.55) ACE2MYCKDM4ETTRPTPRC
SCHEMBL6225855 0.68 KDM4E (0.50) ACE2MYCKDM4ETTRPTPRC
SCHEMBL1646864 0.67 MYC (0.50) ACE2MYCKDM4ETTRALDH1A1
SCHEMBL11600094 0.67
Hypophosphorous Acid SCHEMBL7187710 0.67 KDM4E (0.48) ACE2MYCKDM4ETTRPTPRC
SCHEMBL10787115 0.67 KDM4E (0.53) ACE2MYCKDM4ETTRPTPRC
SCHEMBL599317 0.67 FOLH1 (0.53) MYCKDM4ETTRPTPRCCYP2C8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931534-A Thermotropic aromatic polyesters, a process for their production and their use for the production of moldings, filaments, fibers and films BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 US claimed
JP-2097522-A None JP disclosed
US-4931534-A Thermotropic aromatic polyesters, a process for their production and their use for the production of moldings, filaments, fibers and films BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
JP-H0297522-A THERMOTROPIC AROMATIC POLYESTER, ITS MANUFACTURE, AND ITS USE FOR MANUFACTURE OF MOLDING, FILAMENT, FIBER AND FILM BAYER AG 1990-04-10 JP disclosed