SCHEMBL5941374

SCHEMBL5941374

CC(C)CC(C(=O)O)C(C)OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
LMNA P02545 4/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
F2 P00734 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 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
SCHEMBL5082847 0.86 TSHR (0.47) TSHRTP53PDCD1CD274LMNA
SCHEMBL5082833 0.86 PDCD1 (0.50) TSHRTP53PDCD1CD274LMNA
SCHEMBL5079875 0.85 TSHR (0.53) TSHRTP53PDCD1CD274LMNA
SCHEMBL5082891 0.85 MEN1 (0.47) TSHRTP53PDCD1CD274LMNA
SCHEMBL5079860 0.85 TSHR (0.47) TSHRTP53PDCD1CD274LMNA
SCHEMBL571292 0.85 TSHR (0.52) TSHRTP53PDCD1CD274LMNA
SCHEMBL5941280 0.83 TSHR (0.47) TSHRTP53PDCD1CD274LMNA
SCHEMBL5941353 0.83 TSHR (0.50) TSHRTP53PDCD1CD274LMNA
SCHEMBL5941367 0.83 TSHR (0.50) TSHRTP53PDCD1CD274LMNA
SCHEMBL4837043 0.82 TSHR (0.49) TSHRTP53PDCD1CD274LMNA

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