SCHEMBL25955778

SCHEMBL25955778

O=C1OCc2cc3c(cc21)Oc1cc2c(cc1C3(C(F)(F)F)C(F)(F)F)C(=O)OC2=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ MAOA P21397 11/20 0.35
▸ MAOB P27338 10/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ PRF1 P14222 2/20 0.35
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PPIA P62937 1/20 0.31

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
SCHEMBL25955776 0.97 CYP3A4 (0.37) CYP3A4MAOAMAOBMEN1KMT2A
SCHEMBL10048596 0.85 TDP1 (0.32) MEN1KMT2AMAPTRECQLALDH1A1
SCHEMBL30502779 0.85 TDP1 (0.32) MEN1KMT2AMAPTRECQLALDH1A1
SCHEMBL22901526 0.84 PRF1 (0.34) CYP3A4MAOAMAOBMEN1KMT2A
SCHEMBL21104345 0.82 TDP2 (0.32) —
SCHEMBL16265036 0.76 TDP2 (0.38) ALDH1A1
SCHEMBL24799437 0.72 — —
SCHEMBL20195738 0.72 CYP3A4 (0.53) CYP3A4MAOAMAOBMAPTLMNA
SCHEMBL25955787 0.71 PDK2 (0.42) ALDH1A1
SCHEMBL25955788 0.71 PDK2 (0.45) ALDH1A1

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
WO-2023145758-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING PHTHALIC ACID DERIVATIVE, AND COMPOSITION ダイキン工業株式会社 2023-08-03 — — WO disclosed
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