SCHEMBL9871344

SCHEMBL9871344

F/C(=C(\Oc1cccc(Oc2ccccc2)c1)Sc1ccccc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.38
HSD17B10 Q99714 1/20 0.36
AKR1C3 P42330 1/20 0.36
MAOB P27338 1/20 0.36
PDK2 Q15119 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL9870645 1.00 CETP (0.38) CETPHSD17B10AKR1C3MAOBPDK2
SCHEMBL9870650 1.00 CETP (0.38) CETPHSD17B10AKR1C3MAOBPDK2
SCHEMBL9871287 0.79 AKR1C3 (0.42) CETPHSD17B10AKR1C3MAOBPDK2
SCHEMBL9718914 0.79 AKR1C3 (0.42) CETPHSD17B10AKR1C3MAOBPDK2
SCHEMBL9871832 0.79 AKR1C3 (0.42) CETPHSD17B10AKR1C3MAOBPDK2
SCHEMBL4658587 0.71 AKR1C3 (0.51) HSD17B10AKR1C3MAOBHDAC3HDAC4
SCHEMBL29838830 0.68 KMT2A (0.42) MAOBHDAC6MEN1KMT2A
SCHEMBL22559 0.67 LTA4H (0.75) AKR1C3MAOBHDAC8KDM4EALDH1A1
SCHEMBL30018242 0.67 LTA4H (0.75) AKR1C3MAOBHDAC8KDM4EALDH1A1
SCHEMBL1173711 0.67 LTA4H (0.75) AKR1C3MAOBHDAC8KDM4EALDH1A1

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-5032301-A High performance lubricants comprising triazine derivatives THE DOW CHEMICAL COMPANY (US) 1991-07-16 US disclosed