SCHEMBL9744991

SCHEMBL9744991

O=C(c1ccccc1)C(O)c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.57
CES1 P23141 4/20 0.57
LMNA P02545 3/20 0.57
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
MDM2 Q00987 1/20 0.40
GLS O94925 1/20 0.40
HTT P42858 1/20 0.39
DAO P14920 1/20 0.38
TSHR P16473 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
IDO1 P14902 2/20 0.38
MAPK1 P28482 1/20 0.38
HDAC3 O15379 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL9591214 0.82 HDAC1 (0.46) LMNAALDH1A1KDM4ETSHRHDAC1
SCHEMBL196781 0.82 LMNA (0.52) CES2CES1LMNAL3MBTL1GLS
SCHEMBL30670484 0.82 LMNA (0.52) CES2CES1LMNAL3MBTL1GLS
SCHEMBL8127769 0.82 LMNA (0.52) CES2CES1LMNAL3MBTL1GLS
SCHEMBL196782 0.82 LMNA (0.52) CES2CES1LMNAL3MBTL1GLS
SCHEMBL11751222 0.79 TDP1 (0.42) CES2CES1LMNATDP1L3MBTL1
SCHEMBL7595932 0.79 PGR (0.47) CES2CES1LMNATDP1L3MBTL1
SCHEMBL7763783 0.78 CES2 (0.59) CES2CES1LMNATDP1L3MBTL1
SCHEMBL10781088 0.77 LMNA (0.57) CES2CES1LMNATDP1L3MBTL1
SCHEMBL17784348 0.77 CES2 (0.57) CES2CES1LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236628-A1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-09-16 EP claimed
CN-118900677-A Dental adhesive composition 株式会社GC 2024-11-05 CN disclosed
CN-110832039-A Dielectric ink composition 阿尔法装配解决方案公司 2020-02-21 CN disclosed
EP-0236628-B1 INHIBITION OF THE 5-LIPOXYGENASE PATHWAY SMITHKLINE BEECHAM CORPORATION (US) 1992-12-02 EP disclosed
EP-0236628-A1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-09-16 EP disclosed
US-4686231-A 4,5-DIARYL-2-SUBSTITUTED-IMIDAZOLE SMITHKLINE BECKMAN CORPORATION (US) 1987-08-11 US disclosed