SCHEMBL20208510

SCHEMBL20208510

C/C=C(C)/C=C(\C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
GAA P10253 1/20 0.39
EPHX2 P34913 3/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
GRIN2B Q13224 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL18154010 0.85 TRPV1 (0.44) TRPV1EPHX2MAPTHDAC3HDAC1
SCHEMBL18154009 0.85 TRPV1 (0.44) TRPV1EPHX2MAPTHDAC3HDAC1
SCHEMBL12836091 0.81 NR4A1 (0.63) TRPV1NR4A1NR4A2NR4A3GAA
SCHEMBL18146421 0.81 NR4A1 (0.63) TRPV1NR4A1NR4A2NR4A3GAA
SCHEMBL13864073 0.79 TRPV1 (0.47) TRPV1NR4A1NR4A2NR4A3GAA
SCHEMBL508137 0.78 NR4A1 (0.58) TRPV1NR4A1NR4A2NR4A3EPHX2
SCHEMBL15587040 0.76 HDAC3 (0.44) TRPV1EPHX2HDAC3HDAC1HDAC2
SCHEMBL18146304 0.76 MAOB (0.46) EPHX2HDAC3HDAC1HDAC2GRIN2B
SCHEMBL18146306 0.76 MAOB (0.46) EPHX2HDAC3HDAC1HDAC2GRIN2B
SCHEMBL2092955 0.76 TRPV1 (0.45) TRPV1EPHX2MAPTHDAC3HDAC1

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
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed