SCHEMBL9871287

SCHEMBL9871287

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
MAOB P27338 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LTA4H P09960 2/20 0.40
TSHR P16473 1/20 0.40
PDK2 Q15119 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL9718914 1.00 AKR1C3 (0.42) AKR1C3MAOBHSD17B10LTA4HTSHR
SCHEMBL29838830 0.89 KMT2A (0.42) MAOBHDAC6MEN1KMT2A
SCHEMBL9871832 0.87 AKR1C3 (0.42) AKR1C3MAOBHSD17B10LTA4HTSHR
SCHEMBL9718902 0.84 MAOB (0.38) MAOBHSD17B10LTA4HTSHRHDAC1
SCHEMBL22791498 0.84 MAOB (0.38) MAOBHSD17B10LTA4HTSHRHDAC1
SCHEMBL9718900 0.84 MAOB (0.38) MAOBHSD17B10LTA4HTSHRHDAC1
SCHEMBL9718916 0.81 HDAC6 (0.41) MAOBTSHRPDK2HDAC6ALDH1A1
SCHEMBL9870650 0.79 CETP (0.38) AKR1C3MAOBHSD17B10LTA4HTSHR
SCHEMBL9870645 0.79 CETP (0.38) AKR1C3MAOBHSD17B10LTA4HTSHR
SCHEMBL9871344 0.79 CETP (0.38) AKR1C3MAOBHSD17B10LTA4HTSHR

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