SCHEMBL11234752

SCHEMBL11234752

CCC(Oc1ccc(-c2noc3ccccc23)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.61
PPARA Q07869 7/20 0.40
PPARG P37231 4/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ3 P48549 1/20 0.36
MAPT P10636 3/20 0.36
PTPN1 P18031 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL11283740 0.89 FFAR4 (0.58) FFAR4PPARAPPARGESR1ESR2
SCHEMBL11243631 0.86 FFAR4 (0.46) FFAR4PPARAPPARGESR1ESR2
SCHEMBL11251381 0.78 FFAR4 (0.77) FFAR4PPARGESR1ESR2SMN1; SMN2
SCHEMBL10657410 0.77 MAPT (0.41) PPARAPPARGSMN1; SMN2TP53MAPT
SCHEMBL10659324 0.77 PPARA (0.52) FFAR4PPARAPPARGSMN1; SMN2LMNA
SCHEMBL10658961 0.77 PPARA (0.48) PPARAPPARG
SCHEMBL10665132 0.77 PPARA (0.40) FFAR4PPARAPPARGSMN1; SMN2NPSR1
SCHEMBL11244680 0.76 FFAR4 (0.64) FFAR4ESR1ESR2SMN1; SMN2TP53
SCHEMBL11247085 0.76 FFAR4 (0.45) FFAR4PPARAPPARGESR1ESR2
SCHEMBL10661841 0.76 MAPT (0.41) FFAR4PPARAPPARGMAPT

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
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