SCHEMBL19689638

SCHEMBL19689638

CC(I)CC(C)(C)C(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
EPHX1 P07099 2/20 0.40
NAAA Q02083 2/20 0.37
HTT P42858 3/20 0.36
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM3 P20309 3/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL22062029 0.87 CYP19A1 (0.44) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL19056005 0.84 CYP19A1 (0.40) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL20104993 0.83 EPHX1 (0.41) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL18473659 0.80 CYP19A1 (0.46) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL3434643 0.78 EPHX1 (0.50) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL20388945 0.78 EPHX1 (0.50) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL131561 0.78 EPHX1 (0.50) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL108478 0.78 EPHX1 (0.50) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL22064583 0.78 CYP19A1 (0.44) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL23846257 0.77 CYP19A1 (0.44) CYP19A1EPHX1NAAAHTTCYP2C19

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-20170351179-A1 COMPOSITION FOR FORMING UPPER LAYER FILM, PATTERN FORMING METHOD USING THE SAME, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-12-07 US disclosed