SCHEMBL9717701

SCHEMBL9717701

CC1CC2OC2CC1CC1C2OC2CCC1(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPP5C P53041 1/20 0.34
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1010976 0.86
SCHEMBL890786 0.80 PPP5C (0.36) PPP5CMAPK1TP53NFKB1CYP2C19
SCHEMBL7616892 0.76
SCHEMBL6064156 0.75 CYP19A1 (0.38) PPP5CMAPK1TP53NFKB1CYP2C19
SCHEMBL11413318 0.73 PPP5C (0.33) PPP5C
Bicarbonate SCHEMBL3257313 0.72 PPP5C (0.41) PPP5CMAPK1TP53NFKB1CYP2C19
SCHEMBL890988 0.71 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL28170510 0.71 MAPK1 (0.38) PPP5CMAPK1TP53NFKB1CYP2C19
SCHEMBL4453916 0.69 ALOX5 (0.35) PPP5C
SCHEMBL4600444 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171784-A Blends of vinyl chloride copolymers, phenoyx resins, hydroxy acrylate or methacrylate lactone adducts and acrylate-diisocyanate adducts; magnetic recording media UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-12-15 US disclosed
EP-0375660-A2 Phosphorylated reaction products and compositions incorporating such products UNION CARBIDE CORPORATION (US) 1990-06-27 EP disclosed
EP-0217410-A2 Phosphorylated reaction products and compositions incorporating such products UNION CARBIDE CORPORATION (US) 1987-04-08 EP disclosed
US-4234632-A COATING WASTE PARTICLES WITH A THERMOSETTING RESIN, COMPACTING, CURING, AND COATING WITH A THERMOPLASTIC RESIN THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR U.S. ENVIRONMENTAL PROTECTION AGENCY (US) 1980-11-18 US disclosed