SCHEMBL9559082

SCHEMBL9559082

CC(O)C1CCCC(C(C)O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SHBG P04278 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 2/20 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
SCHEMBL30153374 1.00
SCHEMBL126872 1.00
SCHEMBL343572 1.00
SCHEMBL15842183 0.97 TP53 (0.35) TP53LMNAKDM4EGMNNMAPT
SCHEMBL16231365 0.93
SCHEMBL4919210 0.93
SCHEMBL10964 0.93
SCHEMBL18707170 0.90 TP53 (0.46) TP53LMNAKDM4EGMNNMAPT
SCHEMBL5195 0.90
SCHEMBL18706728 0.90 TP53 (0.46) TP53LMNAKDM4EGMNNMAPT

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-5183946-A Reacting a diol derivative with acetylene in presence of basic catalyst; used as chemical intermediate for producing polyurethane useful as hard durable protective coating after curing ISP INVESTMENTS INC. (US) 1993-02-02 US disclosed
EP-0456658-A4 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR 1992-10-07 EP disclosed
EP-0456658-A1 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR ISP INVESTMENTS INC. (US) 1991-11-21 EP disclosed
WO-1990009364-A1 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR GAF CHEMICALS CORPORATION (US) 1990-08-23 WO disclosed