SCHEMBL21749561

SCHEMBL21749561

C=CCc1ccc(-c2c(C(=O)O)oc(C(=O)O)c2-c2ccc(CC=C)cc2OC)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
PTGS1 P23219 2/20 0.54
ALDH1A1 P00352 4/20 0.54
PPARA Q07869 3/20 0.54
PPARG P37231 1/20 0.54
PPARD Q03181 1/20 0.54
ALOX5 P09917 3/20 0.54
CYP3A4 P08684 2/20 0.54
AR P10275 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GABRA1 P14867 2/20 0.49

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
SCHEMBL28278749 0.86 NPC1 (0.57) NPC1RAB9APTGS1ALDH1A1PPARA
SCHEMBL2468115 0.78 CYP3A4 (0.58) NPC1RAB9APTGS1ALDH1A1PPARA
SCHEMBL29368253 0.77 ALDH1A1 (0.63) NPC1RAB9APTGS1ALDH1A1PPARA
SCHEMBL2554889 0.77 ALDH1A1 (0.63) NPC1RAB9APTGS1ALDH1A1PPARA
Eugenol SCHEMBL28969433 0.77 ALDH1A1 (0.76) NPC1RAB9APTGS1ALDH1A1PPARA
Eugenol SCHEMBL30183866 0.77 ALDH1A1 (0.76) NPC1RAB9APTGS1ALDH1A1PPARA
Methyleugenol SCHEMBL28484578 0.76 PPARA (0.81) NPC1RAB9APTGS1ALDH1A1PPARA
SCHEMBL28277307 0.75 MEN1 (0.73) NPC1RAB9APTGS1ALDH1A1PPARA
Acetic Acid SCHEMBL6325287 0.74 ALOX5 (0.58) NPC1RAB9APTGS1ALDH1A1PPARA
SCHEMBL20213687 0.74 MEN1 (0.76) NPC1RAB9APTGS1ALDH1A1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008423-B2 Modified bismaleimide resin and preparation method thereof SOOCHOW UNIVERSITY (CN) 2021-05-18 US claimed
US-10745515-B2 Biomass-based epoxy resin and preparation method thereof SOOCHOW UNIVERSITY (CN) 2020-08-18 US claimed
US-20200062888-A1 BIOMASS-BASED EPOXY RESIN AND PREPARATION METHOD THEREOF SOOCHOW UNIVERSITY (CN) 2020-02-27 US claimed
US-20200062903-A1 MODIFIED BISMALEIMIDE RESIN AND PREPARATION METHOD THEREOF SOOCHOW UNIVERSITY (CN) 2020-02-27 US claimed
US-11008423-B2 Modified bismaleimide resin and preparation method thereof SOOCHOW UNIVERSITY (CN) 2021-05-18 US disclosed
US-10745515-B2 Biomass-based epoxy resin and preparation method thereof SOOCHOW UNIVERSITY (CN) 2020-08-18 US disclosed
US-20200062888-A1 BIOMASS-BASED EPOXY RESIN AND PREPARATION METHOD THEREOF SOOCHOW UNIVERSITY (CN) 2020-02-27 US disclosed
US-20200062903-A1 MODIFIED BISMALEIMIDE RESIN AND PREPARATION METHOD THEREOF SOOCHOW UNIVERSITY (CN) 2020-02-27 US disclosed
CN-106589317-A Biomass-based epoxy resin and preparation method thereof 苏州大学 2017-04-26 CN disclosed