SCHEMBL6691622

SCHEMBL6691622

CC(=O)Oc1cccc(C(=O)O)c1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.68
HSD17B10 Q99714 8/20 0.68
HPGD P15428 8/20 0.68
ALDH1A1 P00352 8/20 0.68
PTGS1 P23219 2/20 0.68
PTGS2 P35354 2/20 0.68
TSHR P16473 2/20 0.68
ESR1 P03372 1/20 0.68
ITGB3 P05106 1/20 0.68
ITGA2B P08514 1/20 0.68
HMGB1 P09429 1/20 0.68
GGT1 P19440 1/20 0.68
BLM P54132 1/20 0.68
NAPRT Q6XQN6 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MAPK1 P28482 2/20 0.67
LMNA P02545 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CFD P00746 2/20 0.54

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
SCHEMBL6695632 0.84 CFD (0.61) KDM4EHSD17B10HPGDALDH1A1PTGS1
SCHEMBL1997846 0.81 HTT (0.58) KDM4EHSD17B10HPGDALDH1A1PTGS1
Aspirin SCHEMBL1353 0.81 KDM4E (1.00) KDM4EHSD17B10HPGDALDH1A1PTGS1
Aspirin SCHEMBL10456693 0.81 KDM4E (1.00) KDM4EHSD17B10HPGDALDH1A1PTGS1
Aspirin SCHEMBL7580 0.81 KDM4E (1.00) KDM4EHSD17B10HPGDALDH1A1PTGS1
Aspirin SCHEMBL29350479 0.81 KDM4E (1.00) KDM4EHSD17B10HPGDALDH1A1PTGS1
Aspirin SCHEMBL1331740 0.81 KDM4E (1.00) KDM4EHSD17B10HPGDALDH1A1PTGS1
SCHEMBL8676659 0.80 KDM4E (0.70) KDM4EHSD17B10HPGDALDH1A1PTGS1
SCHEMBL1156927 0.80 KDM4E (0.70) KDM4EHSD17B10HPGDALDH1A1PTGS1
SCHEMBL6178884 0.80 KDM4E (0.70) KDM4EHSD17B10HPGDALDH1A1PTGS1

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