SCHEMBL9406589

SCHEMBL9406589

COC[C@H]1CC[C@H](C2CCC(C(=O)O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
LMNA P02545 1/20 0.48
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL9647114 1.00 PLG (0.48) PLGPLATLMNAANPEPENPEP
SCHEMBL9647118 1.00 PLG (0.48) PLGPLATLMNAANPEPENPEP
SCHEMBL13355475 0.94 PLG (0.54) PLGPLATLMNAANPEPENPEP
SCHEMBL1203799 0.94 PLG (0.54) PLGPLATLMNAANPEPENPEP
SCHEMBL11037061 0.83 TP53 (0.43) ALDH1A1SMN1; SMN2GAA
SCHEMBL11037059 0.83 TP53 (0.43) ALDH1A1SMN1; SMN2GAA
SCHEMBL11037058 0.83 TP53 (0.43) ALDH1A1SMN1; SMN2GAA
SCHEMBL19335820 0.81
Bicarbonate SCHEMBL9406595 0.81 LMNA (0.41) LMNAALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL20043123 0.78 PLG (0.50) PLGPLATLMNAANPEPENPEP

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-0355552-B1 Alkoxymethyl- and alkenyloxymethyl-cyclohexanes HOFFMANN LA ROCHE (CH) 1994-02-23 EP disclosed
US-5102578-A Electrooptics HOFFMANN-LA ROCHE INC. (US) 1992-04-07 US disclosed