SCHEMBL8701732

SCHEMBL8701732

O=C1OCC=C1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
TSHR P16473 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GAPDH P04406 1/20 0.42
ALOX12 P18054 1/20 0.39
FAAH O00519 2/20 0.38
NAAA Q02083 1/20 0.37
GSTP1 P09211 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
NSD2 O96028 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL13879154 0.67 CES2 (0.64) LTA4HTSHRCES2CES1GAPDH
SCHEMBL21767842 0.64 KDM4E (0.30) KMT2A
Diphenylether SCHEMBL9061108 0.64 LTA4H (1.00) LTA4HTSHRGSTP1KMT2AMAOA
Diphenylether SCHEMBL2461810 0.64 LTA4H (1.00) LTA4HTSHRGSTP1KMT2AMAOA
Diphenylether SCHEMBL12286 0.64 LTA4H (1.00) LTA4HTSHRGSTP1KMT2AMAOA
Diphenylether SCHEMBL4950525 0.64 LTA4H (1.00) LTA4HTSHRGSTP1KMT2AMAOA
Diphenylether SCHEMBL4639231 0.63 LTA4H (0.71) LTA4HTSHRGSTP1LMNAKMT2A
Diphenylether SCHEMBL29049660 0.63 LTA4H (0.71) LTA4HTSHRGSTP1MAOAMAOB
SCHEMBL8720193 0.63 LTA4H (0.61) LTA4HTSHRCES2CES1GAPDH
SCHEMBL7052563 0.63 LTA4H (0.52) LTA4HTSHRLMNAGAAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3937925-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF EPM (IP), Inc. (US) 2022-01-19 EP disclosed
WO-2020186010-A1 CANNABINOID ACID ESTER COMPOSITIONS AND USES THEREOF EPM GROUP, INC. (US) 2020-09-17 WO disclosed
US-5707990-A 2-substituted amino and thio alkyl benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-01-13 US disclosed
WO-1997028167-A1 2-SUBSTITUTED AMINO AND THIO ALKYL BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-08-07 WO disclosed