SCHEMBL22804690

SCHEMBL22804690

Cc1cccc(COc2ccc(C(=O)C=C(O)C(F)(F)F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.62
NR1H4 Q96RI1 1/20 0.53
NR4A2 P43354 2/20 0.52
MRGPRX4 Q96LA9 5/20 0.49
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
FFAR1 O14842 3/20 0.48
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL22804687 1.00 MAOB (0.62) MAOBNR1H4NR4A2MRGPRX4PTPRC
SCHEMBL22804950 0.86 NR4A2 (0.59) MAOBNR4A2SMN1; SMN2RAB9A
SCHEMBL22804948 0.86 NR4A2 (0.59) MAOBNR4A2SMN1; SMN2RAB9A
SCHEMBL22804742 0.85 MAOB (0.58) MAOBNR1H4NR4A2PTPRCPTPN1
SCHEMBL22804739 0.85 MAOB (0.58) MAOBNR1H4NR4A2PTPRCPTPN1
SCHEMBL27488702 0.80 MAOB (0.71) MAOBNR1H4NR4A2MRGPRX4PTPRC
SCHEMBL13951781 0.80 MAOB (0.78) MAOBNR1H4NR4A2MRGPRX4PTPRC
SCHEMBL22804483 0.79 MAOB (0.64) MAOBNR1H4NR4A2MRGPRX4PTPRC
SCHEMBL22805064 0.78 NR4A2 (0.46) MAOBNR1H4NR4A2SMN1; SMN2RXRA
SCHEMBL22805565 0.78 NR4A2 (0.62) MAOBNR4A2MRGPRX4PTPRCPTPN1

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
EP-3986875-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS Bayer Aktiengesellschaft (DE) 2022-04-27 EP disclosed
WO-2020254490-A1 PHENOXYPHENYL HYDROXYISOXAZOLINES AND ANALOGUES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-12-24 WO disclosed