SCHEMBL5941263

SCHEMBL5941263

C=CCC(C(=O)O)C(CCC)OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 4/20 0.41
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PRKCA P17252 1/20 0.38
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX12 P18054 1/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL5082902 0.89 LMNA (0.41) TSHRTP53LMNAMEN1KMT2A
SCHEMBL5941435 0.85 TSHR (0.49) TSHRTP53LMNAMEN1KMT2A
SCHEMBL5941274 0.82 MEN1 (0.47) TSHRTP53LMNAMEN1KMT2A
SCHEMBL5186628 0.81 SLC1A3 (0.45) TSHRTP53LMNAMEN1KMT2A
SCHEMBL5941277 0.81 TSHR (0.47) TSHRTP53LMNACYP2C19MEN1
SCHEMBL1072082 0.80 LMNA (0.39) TSHRTP53LMNACYP2C19MEN1
SCHEMBL5941243 0.79 TSHR (0.49) TSHRTP53LMNAMEN1KMT2A
SCHEMBL1786404 0.78 LMNA (0.51) TSHRTP53LMNAMEN1KMT2A
SCHEMBL5082873 0.78 MEN1 (0.43) TSHRTP53LMNAMEN1KMT2A
SCHEMBL1784284 0.77 LMNA (0.50) TSHRTP53LMNAMEN1KMT2A

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