SCHEMBL7671839

SCHEMBL7671839

COC(=O)CCCC=CC[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC2CCCCO2)C[C@@H]1OC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
PDE4D Q08499 6/20 0.36
PTGER2 P43116 2/20 0.36
CA2 P00918 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGER4 P35408 1/20 0.31
PTGER3 P43115 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
SCHEMBL7671832 1.00 KDM4E (0.38) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL7671826 1.00 KDM4E (0.38) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11912325 0.95 KDM4E (0.41) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL13119881 0.95 KDM4E (0.41) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL13211811 0.95 KDM4E (0.41) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL10702946 0.95 KDM4E (0.41) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL13105834 0.95 KDM4E (0.41) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL7668019 0.91
SCHEMBL7665603 0.91 TBXA2R (0.37) ALDH1A1TBXA2RPTGDRPTGER4PTGER3
SCHEMBL7668024 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6359181-B1 THERAPY FOR VISION DEFECTS ALLERGAN SALES, INC. 2002-03-19 US disclosed
US-6307092-B1 POTENT OCULAR HYPOTENSIVES AND ARE PARTICULARLY SUITED FOR THE MANAGEMENT OF GLAUCOMA. ALLERGAN SALES, INC. 2001-10-23 US disclosed
US-6248783-B1 GLAUCOMA THERAPY ALLERGAN SALES, INC. 2001-06-19 US disclosed