SCHEMBL11155641

SCHEMBL11155641

CCCCc1cccc(I)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
PTGS2 P35354 1/20 0.53
IAPP P10997 2/20 0.46
ELANE P08246 4/20 0.44
CTSG P08311 4/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
TYR P14679 2/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL27765350 0.88 GABRA1 (0.46) ALOX5PTGS2IAPPELANECTSG
SCHEMBL201764 0.86 ALOX5 (0.61) ALOX5PTGS2IAPPELANECTSG
Hydrogen Sulfide SCHEMBL28293295 0.84 ALOX5 (0.59) ALOX5PTGS2IAPPELANECTSG
SCHEMBL1024684 0.82 ALOX5 (0.58) ALOX5PTGS2IAPPELANECTSG
SCHEMBL1023094 0.80 GABRA1 (0.71) ALOX5PTGS2IAPPELANECTSG
SCHEMBL10475391 0.80 ALOX5 (0.56) ALOX5PTGS2IAPPELANECTSG
SCHEMBL21286977 0.80 LIPG (0.40) ALOX5PTGS2TYRBIDMCL1
SCHEMBL2467818 0.80 ALOX5 (0.56) ALOX5PTGS2IAPPELANECTSG
SCHEMBL8448603 0.80 ALOX5 (0.66) ALOX5PTGS2ELANECTSGGABRA1
SCHEMBL27985283 0.80 ALOX5 (0.66) ALOX5PTGS2ELANECTSGGABRA1

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
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
EP-3163332-A1 RESIN COMPOSITION FOR REFLECTIVE MATERIAL, AND REFLECTIVE PANEL INCLUDING SAME Mitsui Chemicals, Inc. (JP) 2017-05-03 EP disclosed
WO-1983000333-A1 ANTI-HYPERTENSOR, HETEROCYCLICALLY DI-ORTHOSUBSTITUTED PHENOLS TEULON, JEAN-MARIE 1983-02-03 WO disclosed
EP-0070779-A2 Di-ortho-substituted phenols of which one of the substitutions is a heterocycle, process for their preparation, anti-hypertensive medicines containing them and synthesis intermediates CARPIBEM (CENTRE D'ACTIVITE ET DE RECHERCHE PHARMACEUTIQUE INDUSTRIELLE BIOLOGIQUE ET MEDICALE) Société Anonyme dite: (FR) 1983-01-26 EP disclosed