Methane

Methane

SCHEMBL8628685

C.CC(C)(C)c1cc(O)ccc1CCC(=O)O

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
MIF P14174 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
ESR1 P03372 1/20 0.42
CYP3A4 P08684 1/20 0.42
ESR2 Q92731 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL740968 0.98 POLB (0.50) POLBALDH1A1HSD17B10NR1I2LMNA
SCHEMBL1726385 0.84 NR1I2 (0.46) ALDH1A1HSD17B10NR1I2LMNACYP2C9
SCHEMBL29279328 0.84 NR1I2 (0.46) ALDH1A1HSD17B10NR1I2LMNACYP2C9
SCHEMBL17065498 0.82 FFAR4 (0.51) POLBNPSR1
SCHEMBL29040644 0.82 NR1H4 (0.52) POLBALDH1A1NR1H4NPSR1ESR1
SCHEMBL4630314 0.81 ALDH1A1 (0.50) POLBALDH1A1HSD17B10NR1I2LMNA
SCHEMBL30885859 0.81 ALDH1A1 (0.50) POLBALDH1A1HSD17B10NR1I2LMNA
SCHEMBL7157589 0.81 MIF (0.43) POLBALDH1A1HSD17B10NR1I2LMNA
SCHEMBL1974475 0.80 NR1I2 (0.42) POLBALDH1A1HSD17B10NR1I2LMNA
Benzene SCHEMBL28061142 0.78 TYR (0.50) ALDH1A1HSD17B10NR1I2LMNACYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997045884-A9 FLAME-RETARDANT BATTERY CASING 1998-03-12 WO disclosed
EP-0595832-A1 HIGH MODULUS TOUGHENED POLYAMIDE COMPOSITION. EXXON CHEMICAL PATENTS INC (US) 1994-05-11 EP disclosed
WO-1992021722-A1 HIGH MODULUS TOUGHENED POLYAMIDE COMPOSITION EXXON CHEMICAL PATENTS INC. (US) 1992-12-10 WO disclosed
US-5047476-A Mixing copolymer containing hydrolyzable grafted silicon group dihydrocarbyltin oxide, carboxylic acid, water, then heating UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1991-09-10 US disclosed