SCHEMBL4576706

SCHEMBL4576706

CC(O)CC(C)O.O=C(O)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.44
GSK3B P49841 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OGG1 O15527 1/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL1071444 1.00 RXRA (0.49) RXRARXRBCA1CA2TP53
Propylene Glycol SCHEMBL5085225 0.89 RXRA (0.49) RXRARXRBCA1CA2TP53
4-Methylbenzoic Acid SCHEMBL4578677 0.82 ALDH1A1 (0.68) RXRARXRBCA1CA2TP53
4-Methylbenzoic Acid SCHEMBL569852 0.82 ALDH1A1 (0.68) RXRARXRBCA1CA2TP53
Benzoic Acid SCHEMBL1073214 0.82 TSHR (0.61) CA2TP53TSHRCES2CES1
Benzoic Acid SCHEMBL1068956 0.82 TSHR (0.61) CA2TP53TSHRCES2CES1
Benzoic Acid SCHEMBL4577010 0.82 TSHR (0.61) CA2TP53TSHRCES2CES1
Benzoic Acid SCHEMBL560829 0.82 TSHR (0.61) CA2TP53TSHRCES2CES1
Methyl Alcohol SCHEMBL38656404 0.81 TSHR (0.63) RXRARXRBCA1CA2TP53
SCHEMBL71380 0.81 TSHR (0.71) RXRARXRBCA1CA2TP53

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