SCHEMBL4722673

SCHEMBL4722673

FC[CH]C=Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.59
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
TRPA1 O75762 1/20 0.50
ALOX5 P09917 1/20 0.50
NFE2L2 Q16236 4/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
POLB P06746 1/20 0.42
CMA1 P23946 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 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
SCHEMBL144447 0.76 MAOB (0.59) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL28582529 0.76 MAOB (0.59) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL9427090 0.76 MAOB (0.59) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL2563361 0.76 MAOB (0.59) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL9790648 0.76 MAOB (0.59) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL9427086 0.76 MAOB (0.59) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL23458007 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1
Benzene SCHEMBL9803304 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL6853572 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1
SCHEMBL5875512 0.76 MAOB (1.00) MAOBMAPK1ALDH1A1LMNATRPA1

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
EP-1755396-B1 PIPERAZIN DERIVATIVES AND THEIR USE IN CONTROLLING PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-06-18 EP disclosed
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 EP disclosed