SCHEMBL3740251

SCHEMBL3740251

CCC(=O)Oc1ccccc1S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
ALOX15 P16050 1/20 0.45
ESR1 P03372 2/20 0.44
HIF1A Q16665 2/20 0.44
KMT2A Q03164 6/20 0.44
KDM4E B2RXH2 3/20 0.44
RECQL P46063 2/20 0.44
ACHE P22303 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
PAX8 Q06710 1/20 0.41
CES2 O00748 1/20 0.39

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
SCHEMBL8435546 0.87 ALOX15 (0.55) ELANEALOX15ESR1HIF1AKMT2A
SCHEMBL10580118 0.85 KMT2A (0.53) ALOX15KMT2AKDM4ERECQLMEN1
SCHEMBL30431383 0.80 KDM4E (0.36) KMT2AKDM4ERECQLACHEMEN1
SCHEMBL30883175 0.80 MAPT (0.57) ELANEALOX15KMT2AKDM4EMEN1
SCHEMBL361508 0.80 GAA (0.50) ELANEALOX15ESR1HIF1AKMT2A
SCHEMBL362210 0.80 MAPT (0.57) ELANEALOX15KMT2AKDM4EMEN1
SCHEMBL29176170 0.80 MAPT (0.38) KMT2AKDM4ERECQLMEN1SMN1; SMN2
SCHEMBL7927502 0.80 ELANE (0.47) ELANEALOX15ESR1HIF1AKMT2A
SCHEMBL5404741 0.80 TDP1 (0.57) ELANEALOX15ESR1HIF1AKMT2A
SCHEMBL8692787 0.80 PTGS2 (0.53) ELANEALOX15ESR1HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280113-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS TRUSTEES OF BOSTON UNIVERSITY (US) 2010-11-04 US claimed
US-4826888-A STORAGE STABLE, DISCOLORATION INHIBITION MITSUBISHI RAYON CO., LTD. (JP) 1989-05-02 US claimed
EP-0395251-A1 Herbicidal sulfonamides ICI AUSTRALIA LIMITED (AU) 1990-10-31 EP disclosed