SCHEMBL6131026

SCHEMBL6131026

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CA2 P00918 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 3/20 0.40
PTGES O14684 5/20 0.39
ALOX5 P09917 5/20 0.39
PPARG P37231 5/20 0.39
CTSK P43235 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL6131025 0.86 HDAC3 (0.45) ALDH1A1CA2CYP3A4HPGDLMNA
SCHEMBL11451456 0.79 TSHR (0.45) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL10876944 0.79 SMN1; SMN2 (0.48) ALDH1A1CA2CYP3A4ALOX5SMN1; SMN2
SCHEMBL7699006 0.77 CNR2 (0.49) ALDH1A1CA2CYP3A4LMNAMAPK1
Maleic Acid SCHEMBL5022406 0.77 TSHR (0.43) ALDH1A1CA2CYP3A4MAPK1
SCHEMBL285227 0.76 TSHR (0.49) ALDH1A1CA2CYP3A4LMNA
SCHEMBL10896917 0.76 TRPA1 (0.46) ALDH1A1HPGDHDAC3HDAC4HDAC1
SCHEMBL28260372 0.75 ALDH1A1 (0.42) ALDH1A1CA2CYP3A4HPGDLMNA
SCHEMBL2234128 0.75 ALDH1A1 (0.53) ALDH1A1MAPK1HDAC3ALOX5HDAC4
SCHEMBL28147112 0.74 ALDH1A1 (0.45) ALDH1A1CA2CYP3A4LMNAMAPK1

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