SCHEMBL6819904

SCHEMBL6819904

CC(C)(C)OC(=O)C=CCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
GPR52 Q9Y2T5 11/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL6819901 1.00 TRPV1 (0.46) TRPV1GPR52MAPTPOLBRXFP1
SCHEMBL6425129 0.96 TRPV1 (0.51) TRPV1GPR52MAPTPOLBRXFP1
SCHEMBL6425130 0.96 TRPV1 (0.51) TRPV1GPR52MAPTPOLBRXFP1
SCHEMBL6824556 0.91 GPR52 (0.55) GPR52
SCHEMBL6824553 0.91 GPR52 (0.55) GPR52
SCHEMBL10037558 0.83 GPR52 (0.50) TRPV1GPR52MAPTHDAC3MAPK1
SCHEMBL6820227 0.81 MAOB (0.45)
SCHEMBL6820222 0.81 MAOB (0.45)
SCHEMBL13969979 0.79 MAPT (0.44) MAPTPOLBFAAH
SCHEMBL21829127 0.78 TDP1 (0.54) MAPTMAPK1SLC6A3HDAC1SMN1; SMN2

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-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed