SCHEMBL5941367

SCHEMBL5941367

CCCC(C(=O)O)C(C)OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 5/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F2 P00734 1/20 0.40

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
SCHEMBL5941232 0.91 TP53 (0.47) TSHRTP53LMNAPDCD1CD274
SCHEMBL5079875 0.87 TSHR (0.53) TSHRTP53LMNAPDCD1CD274
SCHEMBL5082861 0.87 LMNA (0.47) TSHRTP53LMNAPDCD1CD274
SCHEMBL5079977 0.87 LMNA (0.47) TSHRTP53LMNAPDCD1CD274
SCHEMBL5079972 0.87 PDCD1 (0.49) TSHRTP53LMNAPDCD1CD274
SCHEMBL5082882 0.84 ALDH1A1 (0.45) TSHRTP53LMNAPDCD1CD274
SCHEMBL14690431 0.84 LMNA (0.50) TSHRTP53LMNAPDCD1CD274
SCHEMBL570134 0.84 LMNA (0.50) TSHRTP53LMNAPDCD1CD274
SCHEMBL443825 0.83 ALDH1A1 (0.54) TSHRTP53LMNAPDCD1CD274
SCHEMBL5941243 0.83 TSHR (0.49) TSHRTP53LMNAPDCD1CD274

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed