SCHEMBL11320941

SCHEMBL11320941

OCc1cc(Oc2ccccc2F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.47
HTR2A P28223 2/20 0.47
SLC6A4 P31645 2/20 0.47
CXCL8 P10145 2/20 0.44
GCK P35557 1/20 0.43
LPAR1 Q92633 4/20 0.42
LPAR5 Q9H1C0 4/20 0.42
KDM4E B2RXH2 1/20 0.39
FKBP1A P62942 1/20 0.38
MAOB P27338 2/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PPARG P37231 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL11391950 0.83 LTA4H (0.53) MAOB
SCHEMBL11326273 0.81 FDFT1 (0.46) PPARG
SCHEMBL2954809 0.77 LTA4H (0.60) PARP10LPAR1LPAR5
SCHEMBL2356168 0.77 CXCL8 (0.64) PARP10SLC6A4CXCL8KDM4EFKBP1A
SCHEMBL11320294 0.77 FFAR4 (0.52) SLC6A4
SCHEMBL2354368 0.77 TTR (0.50) PARP10CXCL8GCKLPAR1LPAR5
SCHEMBL6290666 0.75 CXCL8 (0.46) PARP10HTR2ASLC6A4CXCL8GCK
SCHEMBL6293051 0.75 PARP10 (0.66) PARP10SLC6A4CXCL8LPAR1LPAR5
SCHEMBL2290424 0.74 PARP10 (0.42) PARP10HTR2ASLC6A4CXCL8GCK
SCHEMBL6290619 0.74 PARP10 (0.50) PARP10SLC6A4CXCL8GCK

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
EP-0001064-B1 FLUOROSUBSTITUTED PHENOXYBENZYL-OXYCARBONYLDERIVATIVES, -ALCOHOLS AND -HALIDES, PROCESSES FOR THEIR PREPARATION AND THEIR APPLICATION BAYER AG (DE) 1982-07-07 EP disclosed
US-4199596-A ESTERS, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-04-22 US disclosed