SCHEMBL6131025

SCHEMBL6131025

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.45
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA2 P00918 1/20 0.42
CYP3A4 P08684 1/20 0.42
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39

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
SCHEMBL7699006 0.88 CNR2 (0.49) HDAC3ALDH1A1CA2CYP3A4HDAC4
SCHEMBL10896917 0.87 TRPA1 (0.46) HDAC3HPGDALDH1A1HDAC4HDAC1
SCHEMBL6131026 0.86 ALDH1A1 (0.42) HDAC3HPGDALDH1A1CA2CYP3A4
Styrene SCHEMBL2045081 0.83 ALDH1A1 (0.43) HDAC3ALDH1A1CA2CYP3A4HDAC4
SCHEMBL11183541 0.82 CA2 (0.46) HDAC3ALDH1A1CA2CYP3A4HDAC4
SCHEMBL22081 0.82 CA2 (0.47) ALDH1A1CA2CYP3A4TDP1
SCHEMBL20609791 0.82 CA2 (0.47) ALDH1A1CA2CYP3A4TDP1
SCHEMBL11525978 0.82 ALDH1A1 (0.44) HDAC3ALDH1A1CA2CYP3A4HDAC4
SCHEMBL6131024 0.81 ALDH1A1 (0.40) HDAC3ALDH1A1CA2CYP3A4HDAC4
SCHEMBL6131027 0.81 ALDH1A1 (0.40) HDAC3ALDH1A1CA2CYP3A4HDAC4

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