SCHEMBL17736503

SCHEMBL17736503

CC(C)(C)C(=O)/C(=N\OS(=O)(=O)C(F)(F)COC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2o1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HSF1 Q00613 8/20 0.35
▸ XDH P47989 7/20 0.33
▸ NLRP3 Q96P20 2/20 0.33
▸ TLR4 O00206 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL17736490 0.85 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17736500 0.80 XDH (0.39) HSF1XDHNLRP3TLR4
SCHEMBL17736492 0.76 CNR1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17736506 0.70 CTSS (0.36) HSF1XDHNLRP3TLR4CTSS
SCHEMBL16381780 0.69 XDH (0.50) HSF1XDHNLRP3TLR4
SCHEMBL17736485 0.68 CNR1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17736504 0.67 FAAH (0.40) XDHNLRP3CTSSALDH1A1NPSR1
SCHEMBL17736493 0.67 XDH (0.34) HSF1XDHNLRP3TLR4CTSS
SCHEMBL1398383 0.67 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17736498 0.66 FAAH (0.39) HSF1XDHNLRP3TLR4CTSS

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
US-20160131976-A1 RESIST COMPOSITION FOR SEMICONDUCTOR MANUFACTURING PROCESS; RESIST FILM, RESIST-COATED MASK BLANKS, PHOTOMASK, AND RESIST PATTERNING METHOD USING SAID RESIST COMPOSITION; ELECTRONIC-DEVICE MANUFACTURING METHOD; AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-05-12 — — US disclosed
US-20160131976-A1 RESIST COMPOSITION FOR SEMICONDUCTOR MANUFACTURING PROCESS; RESIST FILM, RESIST-COATED MASK BLANKS, PHOTOMASK, AND RESIST PATTERNING METHOD USING SAID RESIST COMPOSITION; ELECTRONIC-DEVICE MANUFACTURING METHOD; AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-05-12 — — US disclosed
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