SCHEMBL6901624

SCHEMBL6901624

C[CH]c1ccc2oc(-c3ccccc3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.63
PTGES O14684 2/20 0.56
CYP26B1 Q9NR63 1/20 0.48
FFAR1 O14842 1/20 0.48
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
MAOA P21397 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.42
MAPK3 P27361 1/20 0.42
AHR P35869 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL6239571 0.83 MAOB (0.58) MAOBPTGESCYP26B1FFAR1ESR1
SCHEMBL11806213 0.79 MAOB (0.57) MAOBPTGESCYP26B1FFAR1ESR1
SCHEMBL11822400 0.79 MAOB (0.57) MAOBPTGESCYP26B1FFAR1ESR1
SCHEMBL3983367 0.77 MAOB (1.00) MAOBFFAR1ESR1ESR2MAOA
SCHEMBL3626409 0.77 MAOB (0.68) MAOBFFAR1ESR1ESR2MAOA
SCHEMBL1601919 0.76 MAOB (0.54) MAOBPTGESCYP26B1FFAR1ESR1
SCHEMBL2149692 0.76 MAOB (0.66) MAOBPTGESFFAR1ESR1ESR2
SCHEMBL11804512 0.75 RELA (0.53) MAOBPTGESCYP26B1FFAR1ESR1
SCHEMBL11804481 0.74 MAOB (0.51) MAOBPTGESCYP26B1FFAR1ESR1
SCHEMBL11804485 0.74 MAOB (0.51) MAOBPTGESCYP26B1FFAR1ESR1

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-1385505-A2 ACNE TREATMENT Zouboulis, Christos (DE) 2004-02-04 EP claimed
WO-2002089791-A2 ACNE TREATMENT WITH LIPOOXIGENASE INHIBITORS ZOUBOULIS CHRISTOS C (DE) 2002-11-14 WO claimed
EP-1385505-A2 ACNE TREATMENT Zouboulis, Christos (DE) 2004-02-04 EP disclosed
WO-2002089791-A2 ACNE TREATMENT WITH LIPOOXIGENASE INHIBITORS ZOUBOULIS CHRISTOS C (DE) 2002-11-14 WO disclosed