SCHEMBL4577700

SCHEMBL4577700

CC(O)CC(C)OC(=O)c1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 4/20 0.43
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL1785225 0.92 TSHR (0.59) TSHRHTTALDH1A1SCN1ASCN2A
SCHEMBL31454731 0.92 TSHR (0.59) TSHRHTTALDH1A1SCN1ASCN2A
SCHEMBL1783465 0.81 ALDH1A1 (0.60) TSHRHTTALDH1A1SCN1ASCN2A
SCHEMBL1785248 0.80 TSHR (0.52) TSHRHTTALDH1A1NPC1RAB9A
SCHEMBL1928503 0.80 NPC1 (0.54) TSHRHTTALDH1A1NPC1RAB9A
SCHEMBL30784110 0.80 NPC1 (0.54) TSHRHTTALDH1A1NPC1RAB9A
SCHEMBL4833869 0.79 TSHR (0.49) TSHRHTTALDH1A1NPC1RAB9A
SCHEMBL7741930 0.78 TSHR (0.58) TSHRHTTALDH1A1SCN1ASCN2A
SCHEMBL29395041 0.78 TSHR (0.58) TSHRHTTALDH1A1SCN1ASCN2A
SCHEMBL1785227 0.77 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2

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-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed