SCHEMBL11726005

SCHEMBL11726005

CCCCCC(=O)C=CC1CCC(O)C1CC=CCCCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
ALOX5 P09917 1/20 0.47
OXER1 Q8TDS5 1/20 0.47
PDE4D Q08499 5/20 0.46
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2B P41595 1/20 0.44
MC3R P41968 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SCN5A Q14524 1/20 0.44
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42
PTGER4 P35408 2/20 0.41

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
SCHEMBL11725999 1.00 KDM4E (0.52) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11722357 0.88 PTGFR (0.52) KDM4EALDH1A1PTGER4PTGER3PTGFR
SCHEMBL11722362 0.88 PTGFR (0.52) KDM4EALDH1A1PTGER4PTGER3PTGFR
SCHEMBL11722473 0.87 PPARG (0.52) KDM4EALDH1A1PGRADORA3SLC6A2
SCHEMBL11722471 0.87 PPARG (0.52) KDM4EALDH1A1PGRADORA3SLC6A2
SCHEMBL11718528 0.86 PPARG (0.53) KDM4EALDH1A1TDP1OXER1PGR
SCHEMBL11718533 0.86 PPARG (0.53) KDM4EALDH1A1TDP1OXER1PGR
SCHEMBL11599487 0.85 KDM4E (0.46) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599493 0.85 KDM4E (0.46) KDM4EALDH1A1HKDC1TDP1SAE1
SCHEMBL11599490 0.85 KDM4E (0.46) 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-4054741-A Derivatives of prostanoic acid AYERST MCKENNA & HARRISON LTD. (CA) 1977-10-18 US disclosed