SCHEMBL9506115

SCHEMBL9506115

O=C(O)Cc1ccc2c(Br)c(O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 4/20 0.56
MAPT P10636 3/20 0.56
TSHR P16473 2/20 0.56
NFKB1 P19838 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 2/20 0.56
RGS12 O14924 1/20 0.56
LMNA P02545 1/20 0.56
APEX1 P27695 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
GNAI1 P63096 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
AKR1B1 P15121 2/20 0.55
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL4670210 0.86 ESR1 (0.47) GAAKDM4EHPGDHSD17B10MAPT
SCHEMBL11745958 0.79 GAA (0.61) GAAKDM4ETSHRNFKB1TDP1
SCHEMBL4670607 0.78 ESR1 (0.53) GAAKDM4EHSD17B10MAPTTDP1
SCHEMBL27608928 0.78 ESR1 (0.53) KDM4EMAPTPOLBTHRATHRB
Methane SCHEMBL10453459 0.78 GAA (0.60) GAAKDM4ETSHRNFKB1TDP1
SCHEMBL21585558 0.77 AKR1B1 (0.62) GAAKDM4EHPGDHSD17B10MAPT
SCHEMBL756841 0.76 PTGS1 (0.71) GAAKDM4EHPGDHSD17B10MAPT
SCHEMBL134713 0.75 GAA (0.68) GAAKDM4EHPGDHSD17B10MAPT
SCHEMBL11275952 0.75 GAA (0.68) GAAKDM4EHPGDHSD17B10MAPT
SCHEMBL27537426 0.75 AKR1B1 (0.60) GAAKDM4EHPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250693-A Lipoxygenase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US disclosed
EP-0547148-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-23 EP disclosed
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US disclosed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO disclosed
US-5084575-A Drugs for the treatment of rhinitis, asthma and skin disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed