SCHEMBL30745014

SCHEMBL30745014

N#Cc1cccc(/C=C/C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HB P07237 14/20 0.64
NPSR1 Q6W5P4 1/20 0.57
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
FBP1 P09467 1/20 0.55
HDAC3 O15379 1/20 0.55
TNKS O95271 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
TNKS2 Q9H2K2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL30912094 1.00 P4HB (0.64) P4HBNPSR1MAOAMAOBFBP1
SCHEMBL1225943 1.00 P4HB (0.64) P4HBNPSR1MAOAMAOBFBP1
SCHEMBL1225940 1.00 P4HB (0.64) P4HBNPSR1MAOAMAOBFBP1
Hydrochloric Acid SCHEMBL4101473 0.98 P4HB (0.62) P4HBNPSR1MAOAMAOBFBP1
SCHEMBL8497675 0.88 P4HB (0.66) P4HBMAOAMAOBFBP1
SCHEMBL7339707 0.88 P4HB (0.66) P4HBMAOAMAOBFBP1
SCHEMBL9168215 0.87 P4HB (0.56) P4HBNPSR1MAOAMAOB
SCHEMBL9168213 0.87 P4HB (0.56) P4HBNPSR1MAOAMAOB
SCHEMBL8148520 0.85 P4HB (0.62) P4HBMAOAMAOBFBP1
SCHEMBL4101470 0.85 P4HB (0.62) P4HBMAOAMAOBFBP1

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed