SCHEMBL6699052

SCHEMBL6699052

CC(=O)Oc1cccc(Br)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
PTGS2 P35354 6/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
BLM P54132 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ESR1 P03372 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HMGB1 P09429 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GGT1 P19440 1/20 0.48
PTGS1 P23219 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
ACHE P22303 1/20 0.47
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 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
SCHEMBL10964989 0.83 KDM4E (0.36) KDM4EHSD17B10ALDH1A1ESR1HPGD
SCHEMBL874329 0.83 PTGS2 (0.57) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL5492450 0.83 ELANE (0.42) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL6351831 0.82 PTPN1 (0.53) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL27791867 0.82 MAPK1 (0.47) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL9900461 0.82 MAPK1 (0.47) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL6198267 0.82 MAPK1 (0.47) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL16335017 0.82 ACHE (0.59) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL31389161 0.82 KMT2A (0.38) MAPK1PTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL11411081 0.82 KMT2A (0.38) MAPK1PTGS2KDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed