SCHEMBL25005778

SCHEMBL25005778

CC(Oc1ccccc1)Oc1ccc(-c2cccc(-c3ccc(OC(C)Oc4ccccc4)cc3)c2S(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 14/20 0.47
▸ PPARG P37231 12/20 0.47
▸ CYP1A2 P05177 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PTGS2 P35354 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ GSTP1 P09211 1/20 0.36

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
SCHEMBL25006129 0.90 PPARA (0.42) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL25006154 0.89 CYP1A2 (0.44) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL24996361 0.81 PPARA (0.34) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL21794264 0.77 TSHR (0.46) PTGS2
SCHEMBL24995338 0.77 ERN1 (0.36) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL24996358 0.76 CYP1A2 (0.34) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL23208306 0.72 ALDH1A1 (0.53) PPARAPPARGMAPT
SCHEMBL24995597 0.71 PPARG (0.38) PPARAPPARGCYP2C19PTGS2HSP90AA1
Bicarbonate SCHEMBL3270191 0.71 GAA (0.52) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL542873 0.71 KDM4E (0.50) CYP1A2GAACYP2C9PKMCYP2C19

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
US-20230038825-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION FOR MANUFACTURING PHOTOMASK, AND METHOD FOR MANUFACTURING PHOTOMASK FUJIFILM CORPORATION (JP) 2023-02-09 — — US disclosed
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