SCHEMBL28115396

SCHEMBL28115396

O=C(O)c1cc(C(=O)O)cc(-c2ccsc2-c2cc(C(=O)O)cc(C(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.44
TBXA2R P21731 2/20 0.41
PTGER1 P34995 2/20 0.41
DHODH Q02127 2/20 0.40
PTGS2 P35354 2/20 0.38
CES1 P23141 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37

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
SCHEMBL8443259 0.77 ERN1 (0.39) DHODHDAOKMOBCAT2
SCHEMBL8443923 0.76 DHODH (0.36) PTGS1PTGER1DHODHDAOKMO
SCHEMBL15521796 0.73 CA12 (0.48) DHODHKMO
SCHEMBL29908924 0.71 DHODH (0.57) PTGER1DHODHDAOKMO
SCHEMBL29908910 0.70 DHODH (0.55) PTGER1DHODHDAOKMO
SCHEMBL12270289 0.70 PTGS2 (0.56) PTGS1PTGS2CES1BCAT2
SCHEMBL12270183 0.70 PTGS2 (0.56) PTGS1PTGS2CES1BCAT2
SCHEMBL145349 0.70 DHODH (0.58) DHODHKMO
SCHEMBL16488681 0.68 DHODH (0.53) DHODHDAOKMO
SCHEMBL15814719 0.68 DHODH (0.69) DHODHKMO

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-106432295-A Construction of shining metal organic frame for Eu<3+> sensitization 天津工业大学 2017-02-22 CN claimed
CN-106243082-A The application in Aniline categories detects of the thiophene diamides zinc luminescent metal organic backbone 天津工业大学 2016-12-21 CN disclosed