SCHEMBL7100688

SCHEMBL7100688

CCCCOC(=O)/C(=C\C(C)(C)C)C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 5/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 2/20 0.37
HCAR2 Q8TDS4 3/20 0.37
NAAA Q02083 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
RAD52 P43351 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7100689 1.00 ATM (0.41) ATMALDH1A1TSHRHPGDFAAH
SCHEMBL7106029 0.95 FAAH (0.43) ATMALDH1A1TSHRHPGDFAAH
SCHEMBL7106033 0.95 FAAH (0.43) ATMALDH1A1TSHRHPGDFAAH
SCHEMBL7106219 0.90 HCAR2 (0.33) ALDH1A1HCAR2NPSR1
SCHEMBL7106221 0.90 HCAR2 (0.33) ALDH1A1HCAR2NPSR1
SCHEMBL20262494 0.87 ATM (0.48) ATMALDH1A1TSHRHPGDHCAR2
SCHEMBL7104635 0.83 ATM (0.46) ATMALDH1A1TSHRHPGDFAAH
SCHEMBL7104631 0.83 ATM (0.46) ATMALDH1A1TSHRHPGDFAAH
SCHEMBL7099879 0.83 NPSR1 (0.44) ALDH1A1HPGDFAAHTDP1NPSR1
SCHEMBL7099881 0.83 NPSR1 (0.44) ALDH1A1HPGDFAAHTDP1NPSR1

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-1000939-B1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
US-6403572-B1 REACTING ACID SALT OF A 2-AMINOTHIAZOLE COMPOUND WITH INORGANIC ACID SUMITOMO CHEMICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-6340763-B1 SALT FORMATION AND CRYSTALLIZATION, REACTION OF HALOGENATED COMPOUND AND THIOUREA COMPOUND SUMITOMO CHEMICAL CO., LTD. (JP) 2002-01-22 US disclosed
EP-1000939-A1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed