SCHEMBL6187432

SCHEMBL6187432

C=C(Br)Cc1ccccc1.C=C(Br)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.50
CES2 O00748 2/20 0.50
AKR1B1 P15121 1/20 0.50
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
TRPA1 O75762 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CALM1 P0DP23 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
CTBP2 P56545 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2348652 1.00 CES1 (0.50) CES1CES2AKR1B1ALDH1A1TSHR
SCHEMBL17708570 0.78 CES1 (0.55) CES1CES2AKR1B1ALDH1A1TSHR
SCHEMBL2241627 0.78 CES1 (0.55) CES1CES2AKR1B1ALDH1A1TSHR
SCHEMBL822099 0.78 CES1 (0.55) CES1CES2AKR1B1ALDH1A1TSHR
SCHEMBL12095508 0.78 CES1 (0.55) CES1CES2AKR1B1ALDH1A1TSHR
SCHEMBL31208444 0.77 CES1 (0.67) CES1CES2AKR1B1ALDH1A1TSHR
SCHEMBL5610463 0.77 CES1 (0.54) CES1CES2AKR1B1ALDH1A1TSHR
SCHEMBL1333665 0.76 CES1 (0.52) CES1CES2AKR1B1ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL574785 0.76 CES1 (0.52) CES1CES2AKR1B1ALDH1A1TSHR
SCHEMBL3855307 0.76 CES1 (0.52) CES1CES2AKR1B1ALDH1A1TSHR

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
EP-1409440-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2005-09-14 EP disclosed
EP-1409440-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2004-04-21 EP disclosed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO disclosed