SCHEMBL5325877

SCHEMBL5325877

CCCC1(OC(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.43
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
RXRA P19793 5/20 0.40
RXRB P28702 2/20 0.40
PLA2G4B P0C869 2/20 0.40
RARB P10826 4/20 0.38
HNF4A P41235 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL17319429 0.89 LMNA (0.50) ALDH1A1TSHRLMNA
SCHEMBL28155395 0.81 LMNA (0.46) TSHRLMNA
SCHEMBL27475789 0.76 SLC18A3 (0.43) ALDH1A1MAPTTSHRLMNA
SCHEMBL27382069 0.75 ALDH1A1 (0.40) ALDH1A1MAPTTP53TSHRRXRA
SCHEMBL374208 0.73 LMNA (0.44) ALDH1A1MAPTTP53TSHRLMNA
SCHEMBL27972253 0.73 CTSK (0.44) LMNA
SCHEMBL6405720 0.72 TDP1 (0.42) ALDH1A1TP53TSHRLMNA
SCHEMBL3267939 0.72 CETP (0.43) LMNA
SCHEMBL7196430 0.71 SMN1; SMN2 (0.41) ALDH1A1TSHRCA1CA2LMNA
SCHEMBL4551209 0.70 ALDH1A1 (0.44) ALDH1A1MAPTTP53TSHRRXRA

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
WO-2007032719-A1 A SEALING STRIP AS WELL AS A PACKAGING CONTAINER INCLUDING SUCH A STRIP TETRA LAVAL HOLDINGS & FINANCE S.A. (CH) 2007-03-22 WO claimed