SCHEMBL11445397

SCHEMBL11445397

CCCCCC(=O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)OC)[C@H]2O[C@@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
PDE4D Q08499 5/20 0.41
ALOX5 P09917 1/20 0.38
OXER1 Q8TDS5 1/20 0.38
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
TBXA2R P21731 6/20 0.35
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 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
SCHEMBL8903251 0.77 PDE4D (0.51) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL8901601 0.77 PDE4D (0.51) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL8901597 0.77 PDE4D (0.51) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11623420 0.73 KDM4E (0.51) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599490 0.73 KDM4E (0.46) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599493 0.73 KDM4E (0.46) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599487 0.73 KDM4E (0.46) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11806972 0.72 ALDH1A1 (0.60) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11807287 0.72 ALDH1A1 (0.60) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL7671306 0.72 PDE4D (0.62) KDM4EALDH1A1HKDC1TDP1SAE1

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
US-4187236-A 7-Oxabicycloheptane compounds E. R. SQUIBB & SONS, INC. (US) 1980-02-05 US disclosed