SCHEMBL17736485

SCHEMBL17736485

CC(C)(C)C(=O)/C(=N\OS(=O)(=O)CCOC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.42
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP17A1 P05093 2/20 0.33

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
SCHEMBL17736492 0.84 CNR1 (0.40) CNR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17736490 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17736496 0.81 CNR1 (0.48) CNR1ALDH1A1LMNATSHRALOX15
SCHEMBL18212184 0.72 ALDH1A1 (0.46) ALDH1A1LMNATSHRALOX15CASP1
SCHEMBL17736491 0.71 ALDH1A1 (0.35) CNR1ALDH1A1LMNATSHRALOX15
SCHEMBL16381778 0.70 MAPT (0.44) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL17736503 0.68 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17341917 0.68 SMN1; SMN2 (0.50) ALDH1A1LMNATSHRALOX15CASP1
SCHEMBL17341897 0.67 SMN1; SMN2 (0.49) ALDH1A1LMNATSHRALOX15CASP1
SCHEMBL25915964 0.67 MEN1 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA

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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