SCHEMBL30451096

SCHEMBL30451096

O=Cc1ccccc1/C=C/C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA4 P22748 1/20 0.64
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC3 O15379 1/20 0.56
TNKS O95271 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56

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
SCHEMBL2313840 1.00 NFKB1 (0.64) NFKB1CA1CA2CA4LMNA
SCHEMBL2313844 1.00 NFKB1 (0.64) NFKB1CA1CA2CA4LMNA
SCHEMBL69543 0.91 NFKB1 (0.75) NFKB1CA1CA2CA4LMNA
SCHEMBL459291 0.91 NFKB1 (0.75) NFKB1CA1CA2CA4LMNA
SCHEMBL31197561 0.91 NFKB1 (0.75) NFKB1CA1CA2CA4LMNA
Bromide SCHEMBL8376004 0.89 NFKB1 (0.72) NFKB1CA1CA2CA4LMNA
Hydrochloric Acid SCHEMBL8374050 0.89 NFKB1 (0.72) NFKB1CA1CA2CA4LMNA
SCHEMBL11121643 0.83 HCAR2 (0.75) NFKB1CA1CA2CA4LMNA
SCHEMBL9072389 0.82 NFKB1 (0.53) NFKB1CA1CA2CA4LMNA
SCHEMBL31549898 0.82 MAPT (0.60) NFKB1LMNAMEN1THRBBLM

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-109928949-B Preparation of fluorescent probe and application of long-term stable imaging lysosome thereof 兰州大学 2023-05-26 CN disclosed