SCHEMBL7696149

SCHEMBL7696149

CC1(C)Oc2ccccc2OC1(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.31
ALPG P10696 2/20 0.31
ALOX5 P09917 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13783569 0.82 HTT (0.44) HTTALDH1A1MAPTHPGDTDP1
SCHEMBL848935 0.82 ALOX5 (0.38) HTTKDM4ELMNAGAAALPG
SCHEMBL24181276 0.77 ALOX5 (0.35) HTTMAPTTDP1POLBLMNA
SCHEMBL2708355 0.77 ALOX5 (0.35) HTTMAPTTDP1POLBLMNA
SCHEMBL10638306 0.76 MAPT (0.47) ALDH1A1MAPTTDP1KDM4EGAA
SCHEMBL9273413 0.71 LMNA (0.32) HTTLMNAALOX5
SCHEMBL6442271 0.71 LMNA (0.32) HTTLMNAALOX5
SCHEMBL8388899 0.71 POLB (0.38) HTTALDH1A1MAPTHPGDTDP1
SCHEMBL4945878 0.71 LMNA (0.32) HTTLMNAALOX5
SCHEMBL10602956 0.71 HTT (0.39) HTTALDH1A1MAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002012236-A1 SUBSTITUTED TRIAZOLOPYRID(AZ)INES AS PLANT TREATMENT AGENTS (HERBICIDES) BAYER CROPSCIENCE AG (DE) 2002-02-14 WO disclosed
EP-0173153-B1 BENZOCONDENSED HETEROCYCLIC COMPOUNDS CONTAINING FLUOR, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1989-02-01 EP disclosed
US-4757086-A Insecticides, acaricides BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4681955-A INSECTICIDES, MITICIDES, PYROCATECHOLS, CARBONYL COMPOUNDS, CYCLIZATION, HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1987-07-21 US disclosed
EP-0173152-A2 Benzoyl ureas BAYER AG (DE) 1986-03-05 EP disclosed
EP-0173153-A2 Benzocondensed heterocyclic compounds containing fluor, process for their preparation and their use BAYER AG (DE) 1986-03-05 EP disclosed