SCHEMBL8581306

SCHEMBL8581306

CCOC(=O)C1(Br)Oc2ccc(C(C)=O)cc2OC1Br

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
AKR1B1 P15121 1/20 0.34
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 6/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
APEX1 P27695 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8577663 0.85 LMNA (0.37) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL7818102 0.83 KDM4E (0.40) KDM4EAKR1B1ALDH1A1POLBRECQL
SCHEMBL7202177 0.82 ALDH1A1 (0.42) KDM4EALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL9259019 0.80 LMNA (0.37) KDM4EALDH1A1POLBMAPTTSHR
SCHEMBL6040443 0.77 ALPG (0.42) KDM4EAKR1B1CREBBPALDH1A1POLB
SCHEMBL7203233 0.68 CYP4F2 (0.47) KDM4EALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL7153475 0.67 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL703438 0.66 CA12 (0.53) KDM4EALDH1A1RECQLSMN1; SMN2MAPT
SCHEMBL9255523 0.65 CYP4F2 (0.47) KDM4EALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL31085256 0.65 KDM4E (0.45) KDM4EAKR1B1CREBBPALDH1A1POLB

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-5807882-A ANTITUMOR AGENTS ADIR ET COMPAGNIE (FR) 1998-09-15 US disclosed
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed