SCHEMBL18626660

SCHEMBL18626660

Cc1ccc(CCC2CCCCC2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 4/20 0.41
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
PRMT6 Q96LA8 1/20 0.40
CYP1A2 P05177 1/20 0.35
CA2 P00918 1/20 0.35
THRB P10828 2/20 0.35
DAO P14920 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.34
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL18626739 0.91 PRMT6 (0.44) GAAPOLBPRMT6THRBKDM4E
SCHEMBL18067910 0.82 HPGD (0.44) CELGAAPOLBCYP1A2DAO
SCHEMBL23665620 0.73 PRMT6 (0.58) GAAPRMT6THRBDAOKDM4E
SCHEMBL18067903 0.72 CYP1A2 (0.46) CELGAAPOLBCYP1A2HPGD
SCHEMBL18067912 0.72 HPGD (0.37) CELGAAPRMT6DAOKDM4E
SCHEMBL15215068 0.71 IDO1 (0.37) CELGAAPOLBCYP1A2MEN1
SCHEMBL13209028 0.70 KDM4C (0.47) POLBPRMT6MEN1ALDH1A1KMT2A
SCHEMBL3360573 0.70 PRMT6 (0.52) GAAPOLBPRMT6THRBKDM4E
SCHEMBL29064511 0.69 HPGD (0.56) CELPOLBMEN1ALDH1A1HPGD
SCHEMBL16191644 0.68 MAOB (0.55) CELGAAPOLBCYP1A2DAO

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-9592221-B2 Antibacterial agents: aryl myxopyronin derivatives RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-14 US disclosed