Methane

Methane

SCHEMBL7929971

C.CC(=O)c1ccc2cc3ccccc3c(O)c2c1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
MAPT P10636 1/20 0.65
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CASP3 P42574 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL31506347 0.83 GRIN2D (0.58) ALDH1A1HPGDMAPTHDAC3HDAC4
SCHEMBL50671 0.80 ALDH1A1 (0.82) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL30301801 0.80 ALDH1A1 (0.82) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL49935 0.79 ALDH1A1 (1.00) ALDH1A1HPGDMAPTNPC1RAB9A
Methane SCHEMBL2327641 0.78 PTPN22 (0.54) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL7929967 0.78 ALDH1A1 (0.61) ALDH1A1HPGDMAPTNPC1RAB9A
Methane SCHEMBL155047 0.78 PTPN22 (0.54) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL10484140 0.77 ALDH1A1 (0.96) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL10484226 0.77 ALDH1A1 (0.83) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL1553066 0.76 ALDH1A1 (0.69) ALDH1A1HPGDMAPTNPC1RAB9A

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-6242161-B1 ABSORPTION COATINGS USING COPOLYMERS JSR CORPORATION (JP) 2001-06-05 US disclosed