Methane

Methane

SCHEMBL309100

C.Cc1cccc(-c2cccc(C(=O)O)c2C(=O)O)c1C

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.56
ALDH1A1 P00352 7/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
AKR1B10 O60218 1/20 0.50
TRPA1 O75762 1/20 0.50
ABCB11 O95342 1/20 0.50
DHFR P00374 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM1 P11229 1/20 0.50
AKR1B1 P15121 1/20 0.50
PTGS1 P23219 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
SCHEMBL9153954 0.98 MYC (0.58) MYCALDH1A1HSD17B10HPGDKDM4E
Hydrochloric Acid SCHEMBL9457830 0.96 MYC (0.56) MYCALDH1A1HSD17B10HPGDKDM4E
Hydrochloric Acid SCHEMBL9153043 0.96 MYC (0.56) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL3716970 0.87 MYC (0.61) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL604636 0.85 MYC (0.70) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL607159 0.85 MYC (0.65) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL27624407 0.84 MYC (0.50) MYCALDH1A1HSD17B10HPGDKDM4E
Hydrochloric Acid SCHEMBL28266194 0.84 MYC (0.62) MYCALDH1A1HSD17B10HPGDKDM4E
Methane SCHEMBL27599096 0.83 ALDH1A1 (0.61) MYCALDH1A1HSD17B10HPGDKDM4E
SCHEMBL63603 0.82 HSD17B10 (0.58) MYCALDH1A1HSD17B10HPGDKDM4E

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
US-8993710-B1 Polyimides derived from novel asymmetric benzophenone dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2015-03-31 US disclosed
US-8093348-B1 Polyimides derived from novel asymmetric dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2012-01-10 US disclosed
US-7425650-B1 Synthesis of asymmetric tetracarboxylic acids and corresponding dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2008-09-16 US disclosed
US-7381849-B1 Synthesis of asymmetric tetracarboxylic acids and dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-06-03 US disclosed