Methane

Methane

SCHEMBL27525670

C.C=CCn1cc(C(=O)C=O)c2cccc(-c3ccccc3)c21

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.40
▸ CNR1 P21554 7/20 0.38
▸ CNR2 P34972 6/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ KAT2B Q92831 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BAD Q92934 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL27525665 0.80 CNR2 (0.52) CNR1CNR2ALDH1A1KDM4E
SCHEMBL27550785 0.79 CNR2 (0.43) SERPINE1CNR1CNR2MCL1
SCHEMBL27525669 0.78 CNR2 (0.55) CNR1CNR2
SCHEMBL27550777 0.78 CNR2 (0.55) CNR1CNR2
SCHEMBL28540708 0.71 KMT2A (0.34) KMT2AALDH1A1POLBRXFP1
SCHEMBL27683832 0.70 ATM (0.42) CNR1CNR2
SCHEMBL16344098 0.68 KAT2B (0.49) KMT2AKAT2BALDH1A1KDM4EGAA
SCHEMBL3721317 0.67 KMT2A (0.54) KMT2AKAT2BALDH1A1KDM4ECREBBP
SCHEMBL28215959 0.66 L3MBTL1 (0.66) CNR1CNR2KMT2AALDH1A1KDM4E
SCHEMBL7864455 0.66 BCAT2 (0.59) KMT2AALDH1A1GAANPSR1HTT

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
CN-1292694-A New use ASTRA ZENECA AKTIEBOLAG (SE) 2001-04-25 — — CN disclosed
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