SCHEMBL18098076

SCHEMBL18098076

CC(CCCCO)C(=O)OC1CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1A P35348 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.33
CA1 P00915 2/20 0.32
CYP4F2 P78329 4/20 0.32
CYP4A11 Q02928 4/20 0.32
NAAA Q02083 2/20 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
SCHEMBL18098094 0.93 CYP19A1 (0.40) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL18098110 0.93 CYP19A1 (0.37) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL18098075 0.92 CYP19A1 (0.42) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL18098083 0.92 CYP19A1 (0.42) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL27200276 0.86 CA1 (0.48) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL29233727 0.84 NAAA (0.47) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL16689485 0.80 CYP19A1 (0.43) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL12857967 0.80 CYP19A1 (0.43) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL22085975 0.80 CYP19A1 (0.43) CHRM2CHRM1CHRM3ADRA1ACHRNA4
SCHEMBL22085979 0.79 CYP19A1 (0.45) SMN1; SMN2CYP19A1NAAA

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