SCHEMBL11090522

SCHEMBL11090522

CCOC(=O)c1cc(=O)cc(-c2ccccc2Cl)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
HPGD P15428 3/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
GRM6 O15303 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
S1PR4 O95977 1/20 0.43
PDE4B Q07343 1/20 0.43
TNF P01375 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.43
RUNX1 Q01196 1/20 0.43

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
SCHEMBL11095573 0.86 CA12 (0.45) ALOX5MAOBALDH1A1NPSR1MEN1
SCHEMBL11088637 0.85 ALDH1A1 (0.51) ALOX5HPGDALDH1A1MAPTKDM4E
SCHEMBL11092361 0.81 TNKS (0.50) HPGDMAOBALDH1A1KDM4EPDE4B
SCHEMBL11089533 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11085446 0.79 MEN1 (0.67) HPGDALDH1A1NPSR1MEN1KMT2A
SCHEMBL11088040 0.79 MAOB (0.54) ALOX5MAOBALDH1A1KMT2AMAPT
SCHEMBL31688015 0.77 GRM6 (0.53) ALOX5HPGDALDH1A1NPSR1MEN1
SCHEMBL68855 0.77 HDAC4 (0.53) MAOBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL11085395 0.77 HPGD (0.49) ALOX5HPGDALDH1A1NPSR1MEN1
SCHEMBL11079810 0.75 AKR1B1 (0.53) MAOBALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471129-A ANTIHISTAMINES LILLY INDUSTRIES LIMITED (GB) 1984-09-11 US disclosed
US-4448787-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1984-05-15 US disclosed
US-4304728-A 2,6-DIHYDROXY-2,5-HEXADIENOIC ACID DERIVATIVES, ANTIHISTAMINE INTERMEDIATES LILLY INDUSTRIES LIMITED (GB) 1981-12-08 US disclosed