SCHEMBL6691375

SCHEMBL6691375

O=C(CI)Oc1c(I)cccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
MAPK1 P28482 1/20 0.42
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ESR1 P03372 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HMGB1 P09429 1/20 0.35
GGT1 P19440 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
BLM P54132 1/20 0.35
NAPRT Q6XQN6 1/20 0.35

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
SCHEMBL6691368 0.83 MAPK1 (0.58) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL6696656 0.80 TSHR (0.51) KDM4EHSD17B10ALDH1A1ALOX15MEN1
SCHEMBL6693663 0.79 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL606645 0.77 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL19678546 0.77 MAOB (0.40) HSD17B10PTPN2PTPN1
SCHEMBL5501259 0.75 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1HPGDMAPK1
Lithium SCHEMBL5501261 0.75 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL31050144 0.75 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL1708884 0.75 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL30408748 0.75 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1HPGDMAPK1

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