SCHEMBL28639265

SCHEMBL28639265

CCCC(=O)N(C(C)O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL5031476 0.82 FFAR4 (0.50) CES2CES1TSHRALDH1A1LMNA
SCHEMBL7777441 0.82 FFAR4 (0.50) CES2CES1TSHRALDH1A1LMNA
SCHEMBL4736345 0.82 FFAR4 (0.50) CES2CES1TSHRALDH1A1LMNA
SCHEMBL8085615 0.82 FFAR4 (0.50) CES2CES1TSHRALDH1A1LMNA
SCHEMBL9138869 0.82 FFAR4 (0.50) CES2CES1TSHRALDH1A1LMNA
SCHEMBL2035630 0.82 CES2 (0.41) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL7567699 0.79 TDP1 (0.33) FFAR3TSHRALDH1A1TP53
SCHEMBL4147215 0.78 CES2 (0.38) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL3019869 0.78 ALDH1A1 (0.39) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL3262965 0.76 CES2 (0.36) CES2CES1HDAC3HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109609244-B Extreme pressure anti-wear agent of oil-soluble boric acid ester modified graphene oxide and preparation method thereof 深圳市优宝新材料科技有限公司 2021-08-06 CN claimed
CN-109609244-B Extreme pressure anti-wear agent of oil-soluble boric acid ester modified graphene oxide and preparation method thereof 深圳市优宝新材料科技有限公司 2021-08-06 CN disclosed