SCHEMBL27599863

SCHEMBL27599863

O=CNC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.75
▸ FAAH O00519 1/20 0.58
▸ KMT2A Q03164 2/20 0.57
▸ EPHX1 P07099 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC7 Q8WUI4 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ HDAC5 Q9UQL6 1/20 0.54
▸ TRPV1 Q8NER1 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL11555827 0.86 EPHX2 (1.00) EPHX2FAAHKMT2AEPHX1RAB9A
SCHEMBL12217997 0.83 EPHX2 (0.86) EPHX2FAAHKMT2AEPHX1RAB9A
SCHEMBL5961454 0.82 EPHX2 (0.57) EPHX2KMT2ARAB9ANPC1MAPT
SCHEMBL5643502 0.80 EPHX2 (0.80) EPHX2FAAHKMT2AEPHX1RAB9A
SCHEMBL22103767 0.80 EPHX2 (0.86) EPHX2FAAHKMT2AEPHX1RAB9A
SCHEMBL12412638 0.80 EPHX2 (0.80) EPHX2FAAHKMT2AEPHX1RAB9A
SCHEMBL18031167 0.80 EPHX2 (0.86) EPHX2FAAHKMT2AEPHX1RAB9A
SCHEMBL20805839 0.79 EPHX2 (0.71) EPHX2FAAHKMT2AEPHX1RAB9A
SCHEMBL4923807 0.79 EPHX2 (0.83) EPHX2FAAHKMT2AEPHX1RAB9A
SCHEMBL12584976 0.79 EPHX2 (0.83) EPHX2FAAHKMT2AEPHX1RAB9A

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
CN-1492874-A Macrolide antibiotics — 2004-04-28 — — CN disclosed
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