SCHEMBL11599493

SCHEMBL11599493

CCCCCC(=O)C=CC1CCC(O[Si](C)(C)C)C1CC=CCCCC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
ALOX5 P09917 1/20 0.43
OXER1 Q8TDS5 1/20 0.43
PDE4D Q08499 5/20 0.42
EPHX2 P34913 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
TBXA2R P21731 4/20 0.38
PTGER2 P43116 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL11599490 1.00 KDM4E (0.46) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599487 1.00 KDM4E (0.46) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11105296 0.88 KDM4E (0.40) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599917 0.86 POLB (0.44) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599914 0.86 POLB (0.44) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599921 0.86 POLB (0.44) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11725999 0.85 KDM4E (0.52) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11726005 0.85 KDM4E (0.52) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL18965693 0.74 KDM4E (0.42) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11598003 0.73 PTGFR (0.42) ALDH1A1PTGER4PTGER3TBXA2R

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-4092427-A ANTICOAGULANTS, OXYTOCICS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-30 US disclosed
US-4048329-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4048328-A HYPERTENSIVE AGENTS, BRONCHODILATOR AGENTS, GASTROINTESTINAL DISORDERS, PROSTAGLANDINS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-13 US disclosed
US-4007171-A PROSTAGLANDIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-02-08 US disclosed