SCHEMBL9756579

SCHEMBL9756579

O=C(c1ccc(OCCOc2ccc(C(=O)c3ccccc3F)cc2)cc1)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PARP10 Q53GL7 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
PPARA Q07869 1/20 0.50
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
SRD5A2 P31213 1/20 0.48
MAOB P27338 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
PPARG P37231 1/20 0.47
GCGR P47871 2/20 0.47

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
SCHEMBL1688009 0.91 FAAH (0.52) KMT2AMEN1HRH2HRH1
SCHEMBL400473 0.84 SRD5A2 (0.66) GAAPARP10L3MBTL1LMNAMAPT
SCHEMBL9536433 0.84 SRD5A2 (0.58) GAAKMT2APARP10RAB9ASRD5A2
SCHEMBL10759830 0.84 CES2 (0.62) GAAKMT2AMEN1LMNAMAPT
SCHEMBL3244189 0.81 KMT2A (0.66) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL1687990 0.79 HRH2 (0.64) L3MBTL1LMNAMAPK1HRH2HRH1
SCHEMBL10613762 0.79 LIG1 (0.54) KMT2AMEN1PARP10SRD5A2ALDH1A1
SCHEMBL896769 0.78 CES2 (0.56) GAAKMT2AMEN1LMNAMAPT
SCHEMBL29377967 0.78 CES2 (0.56) GAAKMT2AMEN1LMNAMAPT
SCHEMBL9507199 0.78 CDC25B (0.60) GAAKMT2AMEN1LMNAMAPT

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
JP-3081245-A None JP disclosed
JP-H0381245-A BIS(HALOBENZOYLARYLOXY)ALKANE, PRODUCTION THEREOF, POLYETHER KETONE PRODUCED THEREFROM AND PRODUCTION THEREOF TEIJIN LTD 1991-04-05 JP disclosed