SCHEMBL22062029

SCHEMBL22062029

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.44
EPHX1 P07099 3/20 0.42
NAAA Q02083 2/20 0.39
HTT P42858 3/20 0.38
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM3 P20309 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP8 P22894 1/20 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
SCHEMBL19689638 0.87 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL9615452 0.83 MMP8 (0.34) CYP19A1EPHX1NAAAHTTMMP8
SCHEMBL13448097 0.83 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL12460124 0.83 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL9913254 0.83 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL15935740 0.83 APOBEC3A (0.44) CYP19A1EPHX1HTTSMN1; SMN2NPC1
SCHEMBL12801056 0.82 EPHX1 (0.42) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL181642 0.81 CYP19A1 (0.40) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL181316 0.81 CYP19A1 (0.40) CYP19A1EPHX1NAAAHTTCYP2C19
SCHEMBL181317 0.81 CYP19A1 (0.40) 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-10678132-B2 Resin for hydrophobilizing resist surface, method for production thereof, and positive resist composition containing the resin FUJIFILM CORPORATION (JP) 2020-06-09 US disclosed