SCHEMBL5199599

SCHEMBL5199599

C=CCc1ccc(Oc2ccccc2C(=O)O)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
CYP3A4 P08684 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HTT P42858 4/20 0.61
PTGS1 P23219 2/20 0.59
ALDH1A1 P00352 7/20 0.58
PPARA Q07869 3/20 0.58
PPARG P37231 1/20 0.58
PPARD Q03181 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 3/20 0.54
ALOX5 P09917 1/20 0.51
AR P10275 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL31438938 1.00 MEN1 (0.64) MEN1KMT2ACYP3A4TDP1L3MBTL1
Zinc Ion SCHEMBL11765363 0.84 MEN1 (0.57) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL29368253 0.84 ALDH1A1 (0.63) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL2554889 0.84 ALDH1A1 (0.63) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL1870530 0.82 ALDH1A1 (0.86) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL28061917 0.81 MEN1 (0.56) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL2468115 0.81 CYP3A4 (0.58) MEN1KMT2ACYP3A4TDP1L3MBTL1
Aspirin SCHEMBL27980610 0.80 PTGS1 (0.62) MEN1KMT2ACYP3A4TDP1L3MBTL1
Eugenol SCHEMBL4652636 0.80 ALDH1A1 (0.70) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL2030040 0.80 ALDH1A1 (0.71) MEN1KMT2ACYP3A4TDP1L3MBTL1

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-1814391-A1 MOLD-RESISTANT CONSTRUCTION MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-08-08 EP disclosed
WO-2006056266-A1 MOLD-RESISTANT CONSTRUCTION MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-06-01 WO disclosed
EP-1638398-A1 INHIBITION OF THE ASEXUAL REPRODUCTION OF FUNGI BY EUGENOL AND/OR THE DERIVATIVES THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2006-03-29 EP disclosed
WO-2004110148-A1 INHIBITION OF THE ASEXUAL REPRODUCTION OF FUNGI BY EUGENOL AND/OR THE DERIVATIVES THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-12-23 WO disclosed