SCHEMBL21100525

SCHEMBL21100525

CC(C)OCCCOC(C)(C)OCCc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SHBG P04278 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSPD1 P10809 1/20 0.37

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
SCHEMBL9725762 0.81 ESR1 (0.52) CALM1ESR1ESR2NPC1MAPT
SCHEMBL27936976 0.71 CALM1 (0.52) CALM1ESR1ESR2LMNAADRA2A
SCHEMBL274502 0.69 ESR1 (0.40) CALM1ESR1ESR2LMNAADRA2A
SCHEMBL22833483 0.67 ESR1 (0.54) ESR1ESR2LMNASLC6A2SLC6A4
SCHEMBL22853744 0.67 ESR1 (0.54) ESR1ESR2LMNASLC6A2SLC6A4
SCHEMBL11979782 0.67 TAAR1 (0.50) CALM1ESR1ESR2SLC6A2KMT2A
SCHEMBL274512 0.67 ESR1 (0.48) CALM1ESR1ESR2NPC1MAPT
SCHEMBL3369539 0.67 ADRB2 (0.54) ESR1ESR2LMNASLC6A2ADRB3
SCHEMBL9256938 0.67 ESR1 (0.50) CALM1ESR1ESR2LMNAADRA2A
SCHEMBL10448894 0.66 ESR1 (0.46) CALM1ESR1ESR2NPC1MAPT

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-10329379-B2 Polymeric biomaterials derived from monomers comprising hydroxyacids and phenol compounds and their medical uses RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-06-25 US disclosed