SCHEMBL19742725

SCHEMBL19742725

CC(C)CCOC(=O)CC(C)C.CCOC(=O)CC(C)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
MMP8 P22894 1/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 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
SCHEMBL28647748 0.91 CYP19A1 (0.41) CYP19A1GAA
SCHEMBL1866533 0.86 GAA (0.43) MMP8MGAMGAASIMGAM2
SCHEMBL873392 0.86 GAA (0.43) MMP8MGAMGAASIMGAM2
SCHEMBL579240 0.82 EGFR (0.38) CYP19A1
SCHEMBL7899461 0.80 DPP4 (0.32)
SCHEMBL27696749 0.80 MGAM (0.38) MMP8MGAMGAASIMGAM2
SCHEMBL8041406 0.79 NAAA (0.33)
SCHEMBL957367 0.79 NAAA (0.36) CYP19A1
SCHEMBL8575386 0.79 NAAA (0.36) CYP19A1
SCHEMBL11030212 0.79 NAAA (0.36) CYP19A1

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-20170371244-A1 COMPOSITION FOR FORMING UPPER LAYER FILM, PATTERN FORMING METHOD, RESIST PATTERN, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-12-28 US disclosed