SCHEMBL18098083

SCHEMBL18098083

CC(CCCCO)C(=O)OC1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
NAAA Q02083 2/20 0.41
EPHX1 P07099 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32
MMP2 P08253 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
SCHEMBL18098075 1.00 CYP19A1 (0.42) CYP19A1NAAAEPHX1L3MBTL1HTT
SCHEMBL18098094 0.98 CYP19A1 (0.40) CYP19A1NAAAEPHX1L3MBTL1HTT
SCHEMBL18098110 0.95 CYP19A1 (0.37) CYP19A1NAAAEPHX1L3MBTL1HTT
SCHEMBL18098076 0.92 CHRM2 (0.36) CYP19A1NAAACHRM2CHRM1CHRM3
SCHEMBL22085979 0.88 CYP19A1 (0.45) CYP19A1NAAAEPHX1L3MBTL1HTT
SCHEMBL7218260 0.87 NAAA (0.55) CYP19A1NAAAEPHX1L3MBTL1HTT
SCHEMBL16689485 0.86 CYP19A1 (0.43) CYP19A1NAAAEPHX1L3MBTL1HTT
SCHEMBL12857967 0.86 CYP19A1 (0.43) CYP19A1NAAAEPHX1L3MBTL1HTT
SCHEMBL22085975 0.86 CYP19A1 (0.43) CYP19A1NAAAEPHX1L3MBTL1HTT
SCHEMBL7222848 0.86 NAAA (0.58) CYP19A1NAAAEPHX1HTT

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-9455177-B1 Contact hole formation methods DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-27 US disclosed