SCHEMBL8923218

SCHEMBL8923218

CCCCCCCCC=CCCCCCCCCSc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
PLA2G10 O15496 2/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
PLK1 P53350 1/20 0.45
FAAH O00519 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL8923200 1.00 EPHX2 (0.51) EPHX2PLA2G10ALDH1A1MAPK1SOAT2
SCHEMBL8487585 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3
SCHEMBL15271204 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3
SCHEMBL5168141 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3
SCHEMBL5694452 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3
SCHEMBL58281 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3
SCHEMBL8082721 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3
SCHEMBL8484849 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3
SCHEMBL2792353 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3
SCHEMBL8483918 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1SOAT1PLK1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646098-A Carbonyl containing compounds and their derivatives as multi-functional fuel and lube additives EXXON CHEMICAL PATENTS INC (US) 1997-07-08 US disclosed
US-5550241-A Adducts of cyclic carbonyl monomers and substituted alkens EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-08-27 US disclosed