SCHEMBL9804433

SCHEMBL9804433

CCOc1ccc(C(C/C=C\c2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.40
LTA4H P09960 1/20 0.40
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TUBB1 Q9H4B7 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36

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
SCHEMBL9804436 1.00 RELA (0.40) RELALTA4HMAPTLMNAATM
SCHEMBL9804442 0.85 LTA4H (0.47) RELALTA4HPTGS2CETPKDM4E
SCHEMBL9804446 0.85 LTA4H (0.47) RELALTA4HPTGS2CETPKDM4E
SCHEMBL10546510 0.79 RELA (0.42) RELALTA4HMAPTLMNAATM
SCHEMBL9804272 0.79 LTA4H (0.42) RELALTA4HMAPTLMNAATM
SCHEMBL10546503 0.79 RELA (0.42) RELALTA4HMAPTLMNAATM
SCHEMBL409992 0.76 LTA4H (0.41) LTA4HMAPTLMNAATML3MBTL1
SCHEMBL9804535 0.76 LTA4H (0.41) RELALTA4HMAPTL3MBTL1KMT2A
SCHEMBL407786 0.76 LTA4H (0.41) LTA4HMAPTLMNAATML3MBTL1
SCHEMBL7929051 0.75 LTA4H (0.53) RELALTA4HMAPTLMNAATM

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
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed