SCHEMBL4577215

SCHEMBL4577215

O=C(O)c1cccc(C(O)CCCCO)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
AKR1C3 P42330 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
FOLH1 Q04609 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTGER4 P35408 1/20 0.33
PRNP P04156 1/20 0.33
HNF4A P41235 1/20 0.33
SLC37A4 O43826 1/20 0.32
CNR1 P21554 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
SCHEMBL28056292 0.84 ALDH1A1 (0.44) HTTAKR1C3ALDH1A1ALOX15KDM4E
SCHEMBL28689312 0.79 ALDH1A1 (0.45) HTTAKR1C3ALDH1A1ALOX15KDM4E
SCHEMBL4080822 0.74 ALDH1A1 (0.46) HTTNR4A1NR4A2NR4A3AKR1C3
SCHEMBL31357687 0.72 SLC18A3 (0.39) HTTALDH1A1ALOX15
SCHEMBL2533374 0.72 LMNA (0.43) NR4A1NR4A2NR4A3AKR1C3ALDH1A1
SCHEMBL21143412 0.71 ACE2 (0.43) KDM4EFOLH1GAAMAPTCDC25B
Phthalic Acid SCHEMBL10360600 0.70 ALDH1A1 (0.70) HTTNR4A1NR4A2NR4A3AKR1C3
Phthalic Acid SCHEMBL7203558 0.70 ALDH1A1 (0.70) HTTNR4A1NR4A2NR4A3AKR1C3
SCHEMBL1116170 0.70 ALDH1A1 (0.60) NR4A1NR4A2NR4A3AKR1C3ALDH1A1
SCHEMBL21143417 0.70 ACE2 (0.43) KDM4EFOLH1GAAMAPT

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