SCHEMBL6440549

SCHEMBL6440549

CCOC(=O)C(C)c1ccc(C(CC)CC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LMNA P02545 3/20 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
SCHEMBL16672742 0.80 SMN1; SMN2 (0.51) MEN1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL1744701 0.79 CA12 (0.47) KMT2ATDP1MAPTTSHRSMN1; SMN2
SCHEMBL30754254 0.78 TSHR (0.46) MEN1KMT2ATDP1MAPTTSHR
SCHEMBL14797820 0.73 PSEN1 (0.41) AKR1C3AKR1C2BCHEACHEMEN1
SCHEMBL14797835 0.73 PSEN1 (0.41) AKR1C3AKR1C2BCHEACHEMEN1
SCHEMBL363983 0.73 TSHR (0.48) MEN1KMT2ATDP1TSHRLMNA
SCHEMBL6438968 0.72 CYP4F2 (0.49) MAPTSMN1; SMN2
SCHEMBL27467385 0.71 HDAC8 (0.47) AKR1C3AKR1C2BCHEACHEHDAC8
SCHEMBL490708 0.71 CA12 (0.54) KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL18745644 0.71 SMN1; SMN2 (0.45) AKR1C3AKR1C2BCHEACHEMEN1

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-1511740-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-09 EP disclosed
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 WO disclosed