SCHEMBL28111433

SCHEMBL28111433

CCCC(=O)CC=C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
FNTA P49354 3/20 0.36
FNTB P49356 3/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
EP300 Q09472 1/20 0.32
TSHR P16473 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
THRB P10828 1/20 0.31
PGGT1B P53609 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CD81 P60033 1/20 0.30
AKR1B1 P15121 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL11775022 0.86 HAO1 (0.48) FNTAFNTBCES2CES1TSHR
SCHEMBL11775010 0.86 HAO1 (0.48) FNTAFNTBCES2CES1TSHR
SCHEMBL7948854 0.84 KMT2A (0.52) FNTAFNTBEP300TSHRHAO1
SCHEMBL6834676 0.83 FNTA (0.36) FNTAFNTBCD81
SCHEMBL8620248 0.82 TDP1 (0.41) FFAR3FNTAFNTBEP300ALDH1A1
SCHEMBL8620252 0.82 TDP1 (0.41) FFAR3FNTAFNTBEP300ALDH1A1
SCHEMBL3683290 0.76 KDM4E (0.43) FNTAFNTBCD81
SCHEMBL3683286 0.76 KDM4E (0.43) FNTAFNTBCD81
SCHEMBL10873094 0.74 CES2 (0.35) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL275071 0.74 ALDH1A1 (0.43) FFAR3TSHRALDH1A1CD81

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-117800987-A Cephalosporin compound and application thereof in preparation of antibacterial drugs 复旦大学 2024-04-02 CN disclosed
CN-106061949-A 6,7-trans cephalosporin-based probes for detecting bacteria expressing a metallo-beta-lactamase 小利兰·斯坦福大学理事会 2016-10-26 CN disclosed