SCHEMBL11244680

SCHEMBL11244680

CCOC(=O)COc1ccc(-c2noc3ccccc23)c(Cl)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.64
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CASP1 P29466 1/20 0.47
PTPN1 P18031 2/20 0.43
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KCNJ6 P48051 1/20 0.42
KCNJ3 P48549 1/20 0.42
MAPT P10636 4/20 0.40

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
SCHEMBL11247022 0.87 ALDH1A1 (0.47) FFAR4ALDH1A1KDM4EHPGDMEN1
SCHEMBL11251381 0.85 FFAR4 (0.77) FFAR4ALDH1A1KDM4EHPGDMEN1
SCHEMBL11255027 0.80 FFAR4 (0.63) FFAR4ALDH1A1KDM4EHPGDCASP1
SCHEMBL11257225 0.80 FFAR4 (0.63) FFAR4ALDH1A1KDM4EHPGDMEN1
SCHEMBL11234752 0.76 FFAR4 (0.61) FFAR4NPSR1PTPN1SMN1; SMN2TP53
SCHEMBL10662256 0.76 ALDH1A1 (0.44) FFAR4ALDH1A1KDM4EHPGDMEN1
SCHEMBL11243606 0.74 FFAR4 (0.55) FFAR4ALDH1A1KDM4EHPGDPTPN1
SCHEMBL27439734 0.73 PKM (0.50) FFAR4ALDH1A1KDM4EHPGDMEN1
SCHEMBL11251040 0.73 FFAR4 (0.54) FFAR4ALDH1A1KDM4EHPGDMEN1
SCHEMBL9837024 0.72 KDM4E (0.52) ALDH1A1KDM4EHPGDMEN1KMT2A

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-4337261-A (1,2-Benzisoxazol)phenoxyacetic acids as diuretics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-29 US claimed
EP-0045078-A1 (1,2-Benzisoxazol)phenoxyacetic acids and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-03 EP claimed
US-4337261-A (1,2-Benzisoxazol)phenoxyacetic acids as diuretics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-29 US disclosed
EP-0045078-A1 (1,2-Benzisoxazol)phenoxyacetic acids and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-03 EP disclosed