SCHEMBL31307686

SCHEMBL31307686

FC(F)(F)c1ccc(COc2ccc(Cc3c[nH]cn3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
HMOX1 P09601 1/20 0.48
PTPN1 P18031 2/20 0.44
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPRB P23467 1/20 0.43
PTPN6 P29350 1/20 0.43
CDC25A P30304 1/20 0.43
PTPN11 Q06124 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
IDO1 P14902 1/20 0.41
FFAR1 O14842 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PPARG P37231 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL7974368 0.77 NOS1 (0.46) MAOBHMOX1
SCHEMBL7977252 0.76 NOS1 (0.47) MAOB
SCHEMBL31307710 0.76 MAOB (0.49) MAOBHMOX1PTPN1PTPRCPTPN2
SCHEMBL16926272 0.76 MAOB (0.50) MAOBSLC6A5PPARG
SCHEMBL31307724 0.76 RAB9A (0.55) MAOBMAOA
SCHEMBL11049508 0.73 LTA4H (0.47) IDO1
SCHEMBL4883457 0.73 MAOB (0.72) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL11426612 0.73 MAOB (0.67) MAOBHMOX1PTPN1PTPRCPTPN2
SCHEMBL6972539 0.73 GRIN2B (0.57)
SCHEMBL23266730 0.71 MAOB (0.70) MAOBHMOX1PTPN1PTPRCPTPN2

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
CN-118994022-A Preparation method of 1-methyl-4-phenyl ether derivative and application of non-classical antibacterial activity 中国人民解放军军事科学院军事医学研究院 2024-11-22 CN claimed
CN-118994022-A Preparation method of 1-methyl-4-phenyl ether derivative and application of non-classical antibacterial activity 中国人民解放军军事科学院军事医学研究院 2024-11-22 CN disclosed