SCHEMBL6131027

SCHEMBL6131027

C=C(CC(CC)CCCC)C(=O)O.CC(=CCc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CA2 P00918 1/20 0.40
CYP3A4 P08684 1/20 0.40
CNR2 P34972 2/20 0.38
LMNA P02545 2/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL6131024 1.00 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4CNR2LMNA
Methacrylic Acid SCHEMBL4955601 0.94 ALDH1A1 (0.36) ALDH1A1CA2CYP3A4CNR2LMNA
SCHEMBL7699006 0.85 CNR2 (0.49) ALDH1A1CA2CYP3A4CNR2LMNA
SCHEMBL7636501 0.82 TSHR (0.38) ALDH1A1CA2CYP3A4MAPK1
SCHEMBL6131025 0.81 HDAC3 (0.45) ALDH1A1CA2CYP3A4CNR2LMNA
Styrene SCHEMBL6342794 0.81 ALDH1A1 (0.38) ALDH1A1CA2CYP3A4LMNAHDAC3
SCHEMBL11525978 0.81 ALDH1A1 (0.44) ALDH1A1CA2CYP3A4LMNAHDAC3
SCHEMBL10604419 0.81 TSHR (0.41) ALDH1A1CA2CYP3A4MAPK1
SCHEMBL4375289 0.81 TSHR (0.41) ALDH1A1CA2CYP3A4MAPK1
Styrene SCHEMBL2045081 0.80 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4LMNAHDAC3

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-6927008-B2 Photosensitive transfer material FUJI PHOTO FILM CO., LTD. (JP) 2005-08-09 US claimed