Methane

Methane

SCHEMBL21294035

C.CCC(C)Nc1ccc(-c2ccc(NC(C)CC)cc2)cc1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.82
CYP3A4 P08684 4/20 0.82
L3MBTL1 Q9Y468 4/20 0.82
ALOX15 P16050 3/20 0.82
TSHR P16473 3/20 0.82
HSD17B10 Q99714 3/20 0.82
TDP1 Q9NUW8 3/20 0.82
HIF1A Q16665 2/20 0.82
TP53 P04637 2/20 0.82
THRB P10828 2/20 0.82
HSP90AA1 P07900 1/20 0.82
CASP1 P29466 1/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
ALOX12 P18054 2/20 0.41
MAPK1 P28482 2/20 0.41
PTPN1 P18031 1/20 0.38
RAB9A P51151 1/20 0.37
HCAR3 P49019 1/20 0.36
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL1844486 0.98 ALDH1A1 (0.86) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL49805 0.91 ALDH1A1 (1.00) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL21704895 0.90 ALDH1A1 (0.72) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL20146569 0.90 ALDH1A1 (0.72) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL11482583 0.84 ALDH1A1 (0.86) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL9874686 0.84 ALDH1A1 (0.86) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL9572276 0.84 ALDH1A1 (0.86) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL8559868 0.82 ALDH1A1 (0.82) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL11466441 0.82 ALDH1A1 (0.82) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR
SCHEMBL10396526 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4L3MBTL1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10920007-B2 Urethane resin comprising a polyrotaxane and polishing pad TOKUYAMA CORPORATION (JP) 2021-02-16 US disclosed
EP-3543267-A1 URETHANE RESIN USING POLYROTAXANE, AND POLISHING PAD Tokuyama Corporation (JP) 2019-09-25 EP disclosed
US-20190263961-A1 URETHANE RESIN COMPRISING A POLYROTAXANE AND POLISHING PAD TOKUYAMA CORPORATION (JP) 2019-08-29 US disclosed