SCHEMBL29065602

SCHEMBL29065602

Oc1c(-c2ccccc2)cccc1-c1ccccc1.[Ti]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HNF4A P41235 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 2/20 0.59
BCL2L1 Q07817 2/20 0.59
HPGD P15428 1/20 0.59
BACE1 P56817 2/20 0.55
ALOX5 P09917 1/20 0.46
CYP2A6 P11509 1/20 0.46
MAPK1 P28482 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MMP3 P08254 1/20 0.43
BCAT2 O15382 1/20 0.43
PDE4B Q07343 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42

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
SCHEMBL30605196 0.97 HDAC4 (0.65) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL60283 0.97 HDAC4 (0.65) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL30688232 0.94 HDAC4 (0.62) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL275842 0.94 HDAC4 (0.62) HDAC4HDAC2HDAC8HDAC6HNF4A
Phosphine SCHEMBL28208528 0.94 HDAC4 (0.62) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL30834671 0.94 HDAC4 (0.62) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL9487300 0.94 HDAC4 (0.62) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL8559182 0.94 HDAC4 (0.62) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL3805586 0.94 HDAC4 (0.62) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL28146858 0.94 HDAC4 (0.62) HDAC4HDAC2HDAC8HDAC6HNF4A

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
CN-110891926-B Oligomerization process using vortexes IFP 新能源公司 2023-08-04 CN disclosed