SCHEMBL6276597

SCHEMBL6276597

CCCCCOc1ccc(C=Cc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.Cc1ccoc1C=Cc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
ATP4A P20648 13/20 0.38
ATP4B P51164 13/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRNA7 P36544 3/20 0.36
CHRNA10 Q9GZZ6 3/20 0.36
CHRNA9 Q9UGM1 3/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34

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
SCHEMBL547497 0.88 AHR (0.48) AHRATP4AATP4BCHRNA7CHRNA10
SCHEMBL476729 0.88 AHR (0.48) AHRATP4AATP4BCHRNA7CHRNA10
SCHEMBL144241 0.86 AHR (0.50) AHRATP4AATP4BPTGS1PTGS2
SCHEMBL144242 0.86 AHR (0.50) AHRATP4AATP4BPTGS1PTGS2
SCHEMBL12595134 0.84 AHR (0.44) AHRATP4AATP4BPTGS1PTGS2
SCHEMBL1005700 0.81 TUBB4A (0.50) AHRATP4AATP4BPTGS1PTGS2
SCHEMBL4956020 0.81 TUBB4A (0.50) AHRATP4AATP4BPTGS1PTGS2
SCHEMBL6025105 0.80 KDM4E (0.31)
SCHEMBL1789253 0.80 KDM4E (0.31)
SCHEMBL15318520 0.77 AHR (0.44) AHRATP4AATP4BPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949678-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORP. (US) 2005-09-27 US disclosed