SCHEMBL6699875

SCHEMBL6699875

CCOC(=O)c1cccc(OC(C)=O)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HSD17B10 Q99714 4/20 0.52
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.46
PTGS2 P35354 4/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
HPGD P15428 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 4/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL6692090 0.86 TSHR (0.47) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL7107106 0.84 TSHR (0.58) TSHRHSD17B10NPC1RAB9AALDH1A1
SCHEMBL30186934 0.84 TSHR (0.67) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL1872604 0.84 TSHR (0.67) TSHRHSD17B10KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL25260430 0.83 TSHR (0.65) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL6693375 0.82 TSHR (0.54) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL6694646 0.82 TSHR (0.54) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL6693921 0.82 TSHR (0.54) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL27409680 0.81 TSHR (0.61) TSHRHSD17B10KDM4ENPC1ALDH1A1
Dimethylamine SCHEMBL11757110 0.80 TSHR (0.61) TSHRHSD17B10KDM4ENPC1RAB9A

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