Methane

Methane

SCHEMBL7941475

C.O=[N+]([O-])c1ccc2cc3ccccc3c(O)c2c1

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.57
S100A4 P26447 1/20 0.56
CYP3A4 P08684 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
CSNK2A1 P68400 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL774010 0.89 CASP6 (0.58) CASP6S100A4CYP3A4MEN1KMT2A
SCHEMBL8623371 0.81 MEN1 (0.65) S100A4CYP3A4MEN1KMT2AMAPT
SCHEMBL29450699 0.81 MEN1 (0.65) S100A4CYP3A4MEN1KMT2AMAPT
SCHEMBL29903883 0.81 MEN1 (0.65) S100A4CYP3A4MEN1KMT2AMAPT
SCHEMBL7941471 0.78 CYP3A4 (0.49) CASP6S100A4CYP3A4MEN1KMT2A
SCHEMBL1527627 0.78 TSHR (0.62) CASP6S100A4CYP3A4MEN1KMT2A
SCHEMBL28375106 0.77 CYP3A4 (0.47) CASP6S100A4CYP3A4MEN1KMT2A
SCHEMBL5533530 0.77 S100A4 (0.46) CASP6S100A4CYP3A4MEN1KMT2A
Methane SCHEMBL2327641 0.76 PTPN22 (0.54) CASP6CYP3A4MEN1KMT2AMAPT
Methane SCHEMBL155047 0.76 PTPN22 (0.54) CASP6CYP3A4MEN1KMT2AMAPT

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