SCHEMBL30880214

SCHEMBL30880214

CCCCC(CC)CC(S)CC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL1408561 0.84 CA2 (0.44) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL11458719 0.81 ALDH1A1 (0.52) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL29040980 0.80 CYP3A4 (0.45) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL8678910 0.77 ALDH1A1 (0.50) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL15731292 0.77 CA2 (0.56) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6860417 0.76 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL27761525 0.76 ALDH1A1 (0.61) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5046988 0.73 ALDH1A1 (0.56) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL424113 0.73 CA2 (0.48) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL29133312 0.73 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1

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
WO-2024090478-A1 PHOTOCURABLE RESIN COMPOSITION キヤノン株式会社 2024-05-02 WO disclosed