SCHEMBL9458357

SCHEMBL9458357

OC1(c2cc(F)cc(Sc3ccc4ccccc4c3)c2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.41
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTPN11 Q06124 1/20 0.33
HTR1D P28221 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9458201 0.84 OPRL1 (0.43) ALOX5SMN1; SMN2
SCHEMBL9458188 0.84 ALOX5 (0.42) ALOX5HTR1D
SCHEMBL9458222 0.79 ALOX5 (0.36) ALOX5LMNA
SCHEMBL9458668 0.78 CYP1A2 (0.34) ALOX5CYP1A2CYP2A6
SCHEMBL9381681 0.78 CYP1A2 (0.32) CYP1A2CYP2A6PTPN11SIRT2SIRT1
SCHEMBL9458568 0.78 ALOX5 (0.48) ALOX5SMN1; SMN2
SCHEMBL9367759 0.75 ALOX5 (0.39) ALOX5
SCHEMBL9221371 0.75 ALOX5 (0.68) ALOX5
SCHEMBL9268918 0.75 ALOX5 (0.45) ALOX5
SCHEMBL7479848 0.74 HDAC3 (0.43) ALOX5HDAC3HDAC1HDAC2HTR1D

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
US-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed