SCHEMBL9014656

SCHEMBL9014656

C=CCOCCOc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
THRB P10828 1/20 0.39
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 7/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL9014900 0.98 SLC5A1 (0.43) SLC5A1SLC5A2HRH3ALDH1A1MEN1
SCHEMBL9014872 0.98 SLC5A1 (0.43) SLC5A1SLC5A2HRH3ALDH1A1MEN1
SCHEMBL2521425 0.83 CA12 (0.50) ALDH1A1MEN1USP2LMNAKMT2A
SCHEMBL10600450 0.83 MAPK1 (0.53) HRH3ALDH1A1MEN1USP2LMNA
SCHEMBL9711921 0.83 SLC5A1 (0.42) SLC5A1SLC5A2ALDH1A1MEN1USP2
SCHEMBL14004238 0.82 RARB (0.41) SLC5A1SLC5A2HRH3ALDH1A1CYP3A4
SCHEMBL9712151 0.81 SLC5A1 (0.41) SLC5A1SLC5A2ALDH1A1MEN1USP2
SCHEMBL9712052 0.81 SLC5A1 (0.41) SLC5A1SLC5A2ALDH1A1MEN1USP2
SCHEMBL11649743 0.81 HRH3 (0.56) HRH3ALDH1A1MEN1USP2LMNA
SCHEMBL12926348 0.81 APP (0.53) ALDH1A1LMNALTA4HL3MBTL1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745577-A2 Boosters for high contrast silver halide imaging elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-04 EP disclosed
US-5091274-A Modified polysiloxanes NATIONAL SCIENCE COUNCIL (TW) 1992-02-25 US disclosed