Methane

Methane

SCHEMBL10567951

C.O=C(O)Cc1ccc(OCc2ccccc2C(=O)O)cc1

nearest known ligand 0.52

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
TP53 P04637 2/20 0.51
HTT P42858 1/20 0.51
FFAR1 O14842 6/20 0.50
FFAR4 Q5NUL3 3/20 0.50
AKR1B1 P15121 1/20 0.48
USP2 O75604 1/20 0.48
NR4A2 P43354 1/20 0.48
PTPRC P08575 1/20 0.48
PTPN1 P18031 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
ALOX5 P09917 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL2552269 0.98 FOLH1 (0.53) FOLH1TP53HTTFFAR1FFAR4
SCHEMBL3995720 0.85 TSHR (0.50) TP53FFAR1FFAR4AKR1B1USP2
SCHEMBL4430140 0.85 NPC1 (0.52) FOLH1TP53HTTUSP2ALOX5
SCHEMBL1368181 0.84 TP53 (0.63) FOLH1TP53HTTNR4A2PTPRC
SCHEMBL10689361 0.84 FFAR1 (0.71) FFAR1FFAR4AKR1B1
SCHEMBL5989548 0.84 RXRA (0.59) FOLH1TP53HTTFFAR1FFAR4
SCHEMBL11618778 0.83 CFD (0.55) FOLH1TP53HTTFFAR1NR4A2
SCHEMBL13870541 0.82 FFAR1 (0.56) FOLH1TP53HTTFFAR1FFAR4
SCHEMBL28141293 0.82 AKR1B1 (0.58) HTTFFAR1FFAR4AKR1B1PTPRC
SCHEMBL11621301 0.82 FFAR1 (0.60) FFAR1FFAR4AKR1B1

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
US-4816591-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1989-03-28 US disclosed
US-4585788-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1986-04-29 US disclosed