SCHEMBL27365324

SCHEMBL27365324

CCCCCCCCCCCCCCON(c1ccccc1)c1ccc(CNc2cccc(CO)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.45
HDAC11 Q96DB2 1/20 0.45
CACNA1B Q00975 1/20 0.39
FFAR1 O14842 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADRA2A P08913 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL27529448 0.89 MAPT (0.40) HDAC8HDAC11CACNA1BFFAR1HDAC1
SCHEMBL27362585 0.88 MEN1 (0.42) HDAC8HDAC11CACNA1BFFAR1ADRA2A
SCHEMBL27379179 0.84 TSHR (0.39) ALDH1A1LMNATSHR
SCHEMBL9484705 0.81 CACNA1B (0.49) HDAC8HDAC11CACNA1BFFAR1ALDH1A1
SCHEMBL27389629 0.77 NPC1 (0.36) ALDH1A1LMNATSHR
SCHEMBL27370386 0.77 ALDH1A1 (0.37) HDAC6ADRA2AMEN1ALDH1A1LMNA
SCHEMBL27382619 0.75 HTR2A (0.39) MEN1ALDH1A1LMNAPOLBMAPT
SCHEMBL1520656 0.74 FFAR1 (0.55) HDAC8FFAR1HDAC1HDAC6TSHR
SCHEMBL27361074 0.74 ALDH1A1 (0.47) ADRA2ACNR1ALDH1A1LMNAPOLB
SCHEMBL28194680 0.74 ALDH1A1 (0.47) ADRA2ACNR1ALDH1A1LMNAPOLB

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-1056494-A The bis-aryl amide of platelet activating factor and urea antagonists AMERICAN CYANAMID CO (US) 1991-11-27 CN disclosed