SCHEMBL5145553

SCHEMBL5145553

CC(OCc1ccccc1)Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP19A1 P11511 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.45
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
GSK3B P49841 2/20 0.44
BACE1 P56817 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4967303 0.86 ABCG2 (0.40) CYP1A2CYP1A1CYP19A1ABCG2AKR1B10
SCHEMBL7172181 0.85 ABCG2 (0.46) CYP1A2CYP1A1CYP19A1ABCG2AKR1B10
SCHEMBL6836296 0.84 CYP1A2 (0.45) CYP1A2CYP1A1CYP19A1ABCG2AKR1B10
SCHEMBL3264447 0.83 APP (0.47) CYP1A1ABCG2AKR1B10AKR1B1CA12
SCHEMBL3839200 0.82 APP (0.46) CYP1A2CYP1A1CYP19A1ABCG2AKR1B10
SCHEMBL7269894 0.81 PPARG (0.39) CYP1A2CYP1A1CYP19A1GSK3BBACE1
SCHEMBL274510 0.81 CALM1 (0.43) CYP1A2LMNAPTGS1SLC6A2CYP2C19
SCHEMBL2973189 0.80 LCK (0.39) CYP1A2CYP1A1CYP19A1GSK3BBACE1
SCHEMBL7269887 0.80 PPARG (0.40) CYP1A2CYP1A1CYP19A1GSK3BBACE1
SCHEMBL6833601 0.80 APP (0.43) CYP1A2CYP1A1ABCG2AKR1B10AKR1B1

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-20070003871-A1 Positive photosensitive composition FUJI PHOTO FILM CO., LTD. 2007-01-04 US disclosed