Sugi Predict

Sugi Predict / Compounds / SCHEMBL30238463

SCHEMBL30238463

SCHEMBL30238463

CCC(C)O[Ti+2]OC(C)CC.CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR3 O14843 2/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ CA2 P00918 2/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ CA1 P00915 2/20 0.31

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
SCHEMBL50797 0.86 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1360807 0.86 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361826 0.82 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30238222 0.81 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30238288 0.81 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL30238763 0.80 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28470095 0.80 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1361659 0.77 FFAR3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL10979649 0.77 HDAC3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1684083 0.77 HDAC3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8

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-113227281-B Film-forming composition 日产化学株式会社 2023-03-10 — — CN disclosed